 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer05_STD_B3LYPDBJ_augccpVDZ.in
 Output=31_naproxen_conformer05_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-47478.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     47503.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer05_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:59:19 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.727796000000     -0.617339000000      0.237443000000
  C                                                -1.047841000000      0.762202000000      0.064823000000
  C                                                 0.627887000000     -0.997107000000      0.390677000000
  C                                                 1.641753000000     -0.071739000000      0.382480000000
  C                                                 1.312923000000      1.298898000000      0.205310000000
  C                                                 0.016715000000      1.701054000000      0.052033000000
  C                                                -1.782544000000     -1.552555000000      0.250244000000
  H                                                 0.857810000000     -2.048331000000      0.527327000000
  H                                                 2.108133000000      2.033573000000      0.183762000000
  H                                                -0.215213000000      2.749911000000     -0.085402000000
  C                                                 3.088117000000     -0.486534000000      0.541414000000
  C                                                 3.760195000000      0.119636000000      1.772964000000
  C                                                 3.907138000000     -0.206580000000     -0.726372000000
  H                                                 3.106030000000     -1.577976000000      0.640536000000
  H                                                 4.789633000000     -0.224249000000      1.852177000000
  H                                                 3.214668000000     -0.166664000000      2.672170000000
  H                                                 3.778918000000      1.207660000000      1.714101000000
  O                                                 5.045903000000      0.164513000000     -0.727103000000
  O                                                 3.268617000000     -0.457965000000     -1.892789000000
  H                                                 2.337352000000     -0.661890000000     -1.716441000000
  C                                                -3.089131000000     -1.160241000000      0.100164000000
  C                                                -3.400222000000      0.208007000000     -0.071750000000
  C                                                -2.391569000000      1.146742000000     -0.088108000000
  O                                                -4.667929000000      0.674281000000     -0.226734000000
  C                                                -5.743851000000     -0.249462000000     -0.217471000000
  H                                                -1.551187000000     -2.602541000000      0.381883000000
  H                                                -3.872302000000     -1.903057000000      0.114825000000
  H                                                -2.648333000000      2.189617000000     -0.220665000000
  H                                                -5.805340000000     -0.783207000000      0.735107000000
  H                                                -5.658506000000     -0.971988000000     -1.034008000000
  H                                                -6.645040000000      0.342621000000     -0.355471000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:59:19 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426660   0.000000
     3  C    1.416185   2.451410   0.000000
     4  C    2.435873   2.833775   1.372697   0.000000
     5  C    2.799559   2.425074   2.403180   1.420621   0.000000
     6  C    2.442052   1.419467   2.787164   2.427496   1.365789
     7  C    1.409711   2.435625   2.477584   3.733110   4.208886
     8  H    2.155439   3.427027   1.084716   2.131306   3.393341
     9  H    3.882359   3.404512   3.379196   2.165488   1.082853
    10  H    3.421307   2.160283   3.870092   3.410124   2.127240
    11  C    3.830235   4.346565   2.517169   1.513038   2.540088
    12  C    4.800315   5.142747   3.601276   2.541233   3.136453
    13  C    4.751871   5.110415   3.553339   2.525808   3.140772
    14  H    3.972849   4.802346   2.557544   2.116471   3.417756
    15  H    5.762283   6.184159   4.478105   3.477415   4.137591
    16  H    4.655537   5.082326   3.547715   2.779524   3.442369
    17  H    5.081497   5.120171   4.067118   2.824456   2.892388
    18  O    5.905696   6.173985   4.702941   3.588207   4.011404
    19  O    4.531512   4.894166   3.532470   2.823598   3.363529
    20  H    3.635214   4.081724   2.733969   2.288582   2.930405
    21  C    2.426827   2.804265   3.731921   4.862695   5.043461
    22  C    2.814011   2.420636   4.229870   5.070118   4.845672
    23  C    2.446652   1.406010   3.733957   4.239556   3.719208
    24  O    4.172336   3.632874   5.587522   6.382772   6.028880
    25  C    5.050058   4.812033   6.444212   7.412063   7.237004
    26  H    2.154034   3.416925   2.706632   4.074288   4.843091
    27  H    3.399415   3.883772   4.598754   5.816371   6.094855
    28  H    3.431811   2.163467   4.611135   4.886957   4.082448
    29  H    5.104570   5.046917   6.445991   7.489307   7.435423
    30  H    5.104338   5.047086   6.445859   7.490705   7.435970
    31  H    6.023856   5.628617   7.432838   8.329898   8.034807
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723250   0.000000
     8  H    3.871851   2.700748   0.000000
     9  H    2.121780   5.291701   4.282906   0.000000
    10  H    1.082950   4.591339   4.954790   2.446125   0.000000
    11  C    3.802439   4.994449   2.722807   2.727494   4.666847
    12  C    4.413177   5.986389   3.830866   2.986307   5.116223
    13  C    4.402314   5.927724   3.776534   3.013810   5.113263
    14  H    4.543373   4.904195   2.299683   3.774616   5.503476
    15  H    5.452344   6.893772   4.532299   3.882243   6.135823
    16  H    4.536562   5.723508   3.700784   3.501091   5.279649
    17  H    4.142473   6.378991   4.532415   2.411554   4.644333
    18  O    5.316083   7.108531   4.900040   3.599104   5.897067
    19  O    4.361028   5.595082   3.768052   3.444786   5.068943
    20  H    3.754512   4.651309   3.024195   3.305879   4.562484
    21  C    4.223222   1.372444   4.068110   6.100737   4.856246
    22  C    3.730948   2.412497   4.856006   5.808610   4.075015
    23  C    2.475224   2.787759   4.598447   4.594312   2.703088
    24  O    4.803942   3.675834   6.206047   6.923236   4.914763
    25  C    6.087796   4.196280   6.882774   8.186995   6.291226
    26  H    4.592172   1.083201   2.476201   5.909605   5.536418
    27  H    5.302642   2.123271   4.750287   7.160126   5.921529
    28  H    2.723149   3.869780   5.550922   4.776178   2.500460
    29  H    6.366668   4.124303   6.785372   8.417915   6.663759
    30  H    6.366535   4.124251   6.786653   8.416474   6.661968
    31  H    6.811048   5.253803   7.923935   8.931300   6.871001
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528348   0.000000
    13  C    1.535074   2.524815   0.000000
    14  H    1.096080   2.142945   2.095457   0.000000
    15  H    2.163804   1.088244   2.725440   2.476927   0.000000
    16  H    2.158345   1.090018   3.468601   2.476114   1.776575
    17  H    2.173176   1.089776   2.823548   3.060243   1.758116
    18  O    2.421967   2.811653   1.197705   2.944454   2.620972
    19  O    2.441053   3.743396   1.353304   2.774634   4.048813
    20  H    2.385856   3.848534   1.910961   2.642995   4.352039
    21  C    6.229525   7.165864   7.109178   6.232698   8.125303
    22  C    6.554151   7.394752   7.348328   6.784423   8.423898
    23  C    5.752464   6.508666   6.473992   6.178884   7.563993
    24  O    7.879961   8.679844   8.634659   8.139979   9.724953
    25  C    8.867681   9.717250   9.664492   8.990079  10.734913
    26  H    5.101576   6.128306   6.063182   4.775595   6.929938
    27  H    7.115894   8.068192   8.006581   7.005653   8.992547
    28  H    6.375689   7.023433   6.997978   6.931747   8.089917
    29  H    8.900512   9.663940   9.838732   8.947241  10.668352
    30  H    8.900620   9.888512   9.601148   8.943624  10.865210
    31  H    9.809498  10.623035  10.572968   9.988197  11.659623
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767778   0.000000
    18  O    3.875327   2.941578   0.000000
    19  O    4.574562   4.005542   2.214734   0.000000
    20  H    4.502759   4.164366   2.999663   0.969504   0.000000
    21  C    6.880428   7.441898   8.283606   6.699702   5.744138
    22  C    7.171209   7.465160   8.471624   6.945007   6.031707
    23  C    6.385457   6.428575   7.529215   6.153833   5.318394
    24  O    8.440745   8.683349   9.740060   8.188192   7.285502
    25  C    9.413392   9.825340  10.809713   9.169228   8.229389
    26  H    5.821708   6.685990   7.239339   5.744898   4.825953
    27  H    7.731767   8.412812   9.193371   7.557217   6.591952
    28  H    6.949485   6.783592   7.972377   6.694474   5.935107
    29  H    9.246236   9.837682  10.990255   9.452424   8.504601
    30  H    9.649742  10.068165  10.768946   8.983053   8.030917
    31  H   10.326656  10.662566  11.698204  10.064039   9.140276
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413660   0.000000
    23  C    2.417480   1.377996   0.000000
    24  O    2.442322   1.359600   2.329002   0.000000
    25  C    2.824526   2.392302   3.633719   1.418096   0.000000
    26  H    2.127173   3.394686   3.870950   4.563119   4.845063
    27  H    1.079513   2.171235   3.396325   2.718889   2.519423
    28  H    3.393933   2.124686   1.082168   2.524886   3.940983
    29  H    2.814800   2.723622   4.007021   2.084014   1.093650
    30  H    2.814866   2.723633   4.007071   2.084019   1.093645
    31  H    3.887247   3.259979   4.337062   2.008865   1.087082
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438888   0.000000
    28  H    4.952936   4.284931   0.000000
    29  H    4.640319   2.318502   4.440481   0.000000
    30  H    4.640422   2.318886   4.440542   1.785208   0.000000
    31  H    5.930009   3.598934   4.404910   1.778186   1.778162
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5217567           0.1966021           0.1926148
 Leave Link  202 at Thu Aug 12 19:59:19 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1131.8048366253 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0643366958 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1131.7404999295 Hartrees.
 Leave Link  301 at Thu Aug 12 19:59:21 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.09D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  9.08D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 19:59:22 2021, MaxMem=  5368709120 cpu:               5.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:59:22 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer05_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:59:23 2021, MaxMem=  5368709120 cpu:               6.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.761544576240    
 DIIS: error= 1.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.761544576240     IErMin= 1 ErrMin= 1.71D-03
 ErrMax= 1.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.66D-03 BMatP= 7.66D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.162 Goal=   None    Shift=    0.000
 GapD=    0.162 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.08D-02 MaxDP=1.03D+01              OVMax= 1.29D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.78D-02    CP:  1.55D+00
 E= -767.767749224602     Delta-E=       -0.006204648362 Rises=F Damp=F
 DIIS: error= 3.15D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.767749224602     IErMin= 2 ErrMin= 3.15D-04
 ErrMax= 3.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-04 BMatP= 7.66D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.15D-03
 Coeff-Com:  0.281D-01 0.972D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.280D-01 0.972D+00
 Gap=     0.163 Goal=   None    Shift=    0.000
 RMSDP=3.09D-03 MaxDP=3.79D-01 DE=-6.20D-03 OVMax= 4.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.59D-04    CP:  1.56D+00  1.04D+00
 E= -767.767480742832     Delta-E=        0.000268481770 Rises=F Damp=F
 DIIS: error= 5.03D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.767749224602     IErMin= 2 ErrMin= 3.15D-04
 ErrMax= 5.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.91D-04 BMatP= 2.23D-04
 IDIUse=3 WtCom= 3.08D-01 WtEn= 6.92D-01
 Coeff-Com: -0.917D-02 0.627D+00 0.382D+00
 Coeff-En:   0.000D+00 0.689D+00 0.311D+00
 Coeff:     -0.283D-02 0.670D+00 0.333D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=2.48D-04 MaxDP=1.47D-02 DE= 2.68D-04 OVMax= 3.34D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.64D-04    CP:  1.56D+00  1.04D+00  9.54D-01
 E= -767.767918301514     Delta-E=       -0.000437558682 Rises=F Damp=F
 DIIS: error= 7.31D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.767918301514     IErMin= 4 ErrMin= 7.31D-05
 ErrMax= 7.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.48D-06 BMatP= 2.23D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.589D-02 0.295D+00 0.133D+00 0.577D+00
 Coeff:     -0.589D-02 0.295D+00 0.133D+00 0.577D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=1.17D-04 MaxDP=8.77D-03 DE=-4.38D-04 OVMax= 6.93D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.35D-05    CP:  1.56D+00  1.04D+00  9.44D-01  1.14D+00
 E= -767.767924135839     Delta-E=       -0.000005834325 Rises=F Damp=F
 DIIS: error= 3.17D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.767924135839     IErMin= 5 ErrMin= 3.17D-05
 ErrMax= 3.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-06 BMatP= 8.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-02 0.689D-01 0.150D-01 0.380D+00 0.538D+00
 Coeff:     -0.215D-02 0.689D-01 0.150D-01 0.380D+00 0.538D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=3.36D-05 MaxDP=2.22D-03 DE=-5.83D-06 OVMax= 3.82D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.99D-05    CP:  1.56D+00  1.04D+00  9.44D-01  1.16D+00  9.48D-01
 E= -767.767925544305     Delta-E=       -0.000001408467 Rises=F Damp=F
 DIIS: error= 6.20D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.767925544305     IErMin= 6 ErrMin= 6.20D-06
 ErrMax= 6.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-07 BMatP= 1.83D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.631D-03 0.107D-01-0.369D-02 0.166D+00 0.312D+00 0.516D+00
 Coeff:     -0.631D-03 0.107D-01-0.369D-02 0.166D+00 0.312D+00 0.516D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=8.02D-06 MaxDP=6.25D-04 DE=-1.41D-06 OVMax= 9.36D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.55D-06    CP:  1.56D+00  1.04D+00  9.47D-01  1.15D+00  9.02D-01
                    CP:  9.74D-01
 E= -767.767925684638     Delta-E=       -0.000000140333 Rises=F Damp=F
 DIIS: error= 1.65D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.767925684638     IErMin= 7 ErrMin= 1.65D-06
 ErrMax= 1.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.06D-09 BMatP= 1.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.910D-04-0.123D-02-0.278D-02 0.438D-01 0.955D-01 0.234D+00
 Coeff-Com:  0.630D+00
 Coeff:     -0.910D-04-0.123D-02-0.278D-02 0.438D-01 0.955D-01 0.234D+00
 Coeff:      0.630D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=3.06D-06 MaxDP=1.83D-04 DE=-1.40D-07 OVMax= 3.23D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.71D-06    CP:  1.56D+00  1.04D+00  9.49D-01  1.15D+00  9.03D-01
                    CP:  9.47D-01  8.93D-01
 E= -767.767925689481     Delta-E=       -0.000000004843 Rises=F Damp=F
 DIIS: error= 7.21D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.767925689481     IErMin= 8 ErrMin= 7.21D-07
 ErrMax= 7.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-09 BMatP= 7.06D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.125D-05-0.160D-02-0.117D-02 0.102D-01 0.260D-01 0.898D-01
 Coeff-Com:  0.387D+00 0.490D+00
 Coeff:     -0.125D-05-0.160D-02-0.117D-02 0.102D-01 0.260D-01 0.898D-01
 Coeff:      0.387D+00 0.490D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=7.88D-07 MaxDP=4.60D-05 DE=-4.84D-09 OVMax= 1.46D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.07D-07    CP:  1.56D+00  1.04D+00  9.49D-01  1.15D+00  9.06D-01
                    CP:  9.43D-01  8.96D-01  9.15D-01
 E= -767.767925691016     Delta-E=       -0.000000001534 Rises=F Damp=F
 DIIS: error= 2.13D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.767925691016     IErMin= 9 ErrMin= 2.13D-07
 ErrMax= 2.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.08D-11 BMatP= 1.76D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.656D-05-0.675D-03-0.327D-03 0.144D-02 0.493D-02 0.254D-01
 Coeff-Com:  0.138D+00 0.247D+00 0.584D+00
 Coeff:      0.656D-05-0.675D-03-0.327D-03 0.144D-02 0.493D-02 0.254D-01
 Coeff:      0.138D+00 0.247D+00 0.584D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=2.64D-07 MaxDP=2.13D-05 DE=-1.53D-09 OVMax= 4.14D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.18D-07    CP:  1.56D+00  1.04D+00  9.49D-01  1.15D+00  9.05D-01
                    CP:  9.42D-01  8.97D-01  9.26D-01  9.73D-01
 E= -767.767925691115     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 9.22D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.767925691115     IErMin=10 ErrMin= 9.22D-08
 ErrMax= 9.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-11 BMatP= 9.08D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.474D-05-0.228D-03-0.541D-04-0.390D-03-0.191D-03 0.483D-02
 Coeff-Com:  0.378D-01 0.920D-01 0.353D+00 0.514D+00
 Coeff:      0.474D-05-0.228D-03-0.541D-04-0.390D-03-0.191D-03 0.483D-02
 Coeff:      0.378D-01 0.920D-01 0.353D+00 0.514D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=1.15D-07 MaxDP=8.70D-06 DE=-9.96D-11 OVMax= 1.50D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.49D-08    CP:  1.56D+00  1.04D+00  9.49D-01  1.15D+00  9.06D-01
                    CP:  9.43D-01  8.98D-01  9.33D-01  9.80D-01  8.24D-01
 E= -767.767925691142     Delta-E=       -0.000000000027 Rises=F Damp=F
 DIIS: error= 2.16D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.767925691142     IErMin=11 ErrMin= 2.16D-08
 ErrMax= 2.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-13 BMatP= 1.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.178D-05-0.680D-04-0.531D-05-0.247D-03-0.332D-03 0.940D-03
 Coeff-Com:  0.960D-02 0.288D-01 0.127D+00 0.242D+00 0.593D+00
 Coeff:      0.178D-05-0.680D-04-0.531D-05-0.247D-03-0.332D-03 0.940D-03
 Coeff:      0.960D-02 0.288D-01 0.127D+00 0.242D+00 0.593D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=1.17D-06 DE=-2.71D-11 OVMax= 2.66D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.52D-08    CP:  1.56D+00  1.04D+00  9.49D-01  1.15D+00  9.06D-01
                    CP:  9.43D-01  8.97D-01  9.38D-01  9.78D-01  8.46D-01
                    CP:  9.59D-01
 E= -767.767925691099     Delta-E=        0.000000000043 Rises=F Damp=F
 DIIS: error= 6.28D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.767925691142     IErMin=12 ErrMin= 6.28D-09
 ErrMax= 6.28D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-13 BMatP= 7.02D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.289D-06-0.307D-05 0.669D-05-0.971D-04-0.200D-03-0.290D-03
 Coeff-Com: -0.668D-03 0.218D-02 0.185D-01 0.574D-01 0.328D+00 0.595D+00
 Coeff:      0.289D-06-0.307D-05 0.669D-05-0.971D-04-0.200D-03-0.290D-03
 Coeff:     -0.668D-03 0.218D-02 0.185D-01 0.574D-01 0.328D+00 0.595D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=8.54D-09 MaxDP=5.26D-07 DE= 4.27D-11 OVMax= 7.86D-08

 SCF Done:  E(RB3LYP) =  -767.767925691     A.U. after   12 cycles
            NFock= 12  Conv=0.85D-08     -V/T= 2.0057
 KE= 7.634258424387D+02 PE=-4.051489690902D+03 EE= 1.388555422843D+03
 Leave Link  502 at Thu Aug 12 20:07:19 2021, MaxMem=  5368709120 cpu:            3798.4 elap:             476.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.11342232D+03

 Leave Link  801 at Thu Aug 12 20:07:19 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 6.60D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 4.76D-01 1.54D-01.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 1.28D-01 1.39D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 3.01D-02 4.54D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.23D-02 3.19D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 1.24D-03 6.11D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 8.87D-05 2.18D-03.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 2.53D-06 2.95D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 6.67D-08 3.82D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 1.65D-09 4.34D-06.
      8 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 3.26D-11 5.97D-07.
      7 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 6.47D-13 7.42D-08.
      1 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.49D-13 2.39D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   126 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.328222D+03
      2  0.162714D+02  0.172983D+03
      3  0.121978D+02 -0.382498D+01  0.123657D+03
 Isotropic polarizability for W=    0.088559      208.29 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.377304D+03 -0.146895D+02 -0.499194D+02
      2   0.153275D+03  0.183263D+02 -0.519171D+01
      3   0.224029D+03 -0.363683D+01  0.551111D+02
      4  -0.247904D+02 -0.153677D+03  0.233422D+02
      5   0.303307D+02  0.220965D+02  0.668628D+02
      6   0.608712D+01  0.466064D+02 -0.263438D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.973223D+01  0.281194D+02  0.802511D+01
      2  -0.519358D+02  0.101237D+02  0.282145D+02
      3   0.106231D+02  0.619150D+02 -0.730615D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.124570D+01  0.517981D+02  0.227070D+02
      2  -0.802501D+02  0.172551D+02 -0.157166D+03
      3  -0.101009D+02  0.306952D+03 -0.160094D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.109737D+01  0.239761D+01 -0.308627D+01
      2   0.239761D+01 -0.420541D+01 -0.380911D+01
      3  -0.308627D+01 -0.380911D+01 -0.380660D+01
 OR G Eigenvalues:    -7.8417    -3.4750     4.4021  Iso=     2.3049
 Eigenvectors:
   (1)   0.055252   0.704624   0.707427
   (2)   0.644039  -0.566566   0.514020
   (3)   0.762994   0.427210  -0.485110
 w=    0.088559 a.u., Optical Rotation Beta=      2.3049 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      507.58 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.52D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.25D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 4.22D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 1.21D-01 1.39D-01.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 3.92D-03 2.28D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 2.38D-04 1.50D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 4.74D-06 2.69D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 1.09D-07 3.73D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 1.03D-09 2.52D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 5.38D-12 1.63D-07.
      7 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 7.97D-14 4.36D-08.
      3 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 1.25D-14 8.61D-09.
      3 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 7.73D-15 6.69D-09.
      3 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 2.53D-13 2.82D-08.
      3 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 1.36D-13 2.12D-08.
      3 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 7.02D-14 1.64D-08.
      3 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 4.68D-14 1.28D-08.
      3 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 7.27D-14 1.66D-08.
      2 vectors produced by pass 16 Test12= 7.68D-14 2.78D-09 XBig12= 2.34D-14 9.59D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   270 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.11D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.11D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.27D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.328222D+03  0.162714D+02  0.121978D+02
      2   0.162714D+02  0.172983D+03 -0.382498D+01
      3   0.121978D+02 -0.382498D+01  0.123657D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.973223D+01  0.281194D+02  0.802511D+01
      2  -0.519358D+02  0.101237D+02  0.282145D+02
      3   0.106231D+02  0.619150D+02 -0.730615D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.377304D+03 -0.146895D+02 -0.499194D+02
      2   0.153275D+03  0.183263D+02 -0.519171D+01
      3   0.224029D+03 -0.363683D+01  0.551111D+02
      4  -0.247904D+02 -0.153677D+03  0.233422D+02
      5   0.303307D+02  0.220965D+02  0.668628D+02
      6   0.608712D+01  0.466064D+02 -0.263438D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.435076D+02  0.875472D+01  0.144840D+01 -0.487294D+02 -0.431369D+01
      2   0.875472D+01  0.360490D+01  0.305381D+00 -0.431369D+01 -0.528041D+01
      3   0.144840D+01  0.305381D+00 -0.347772D+00 -0.269703D+01  0.163912D+00
                 6             7             8             9            10 
      1  -0.269703D+01  0.813260D+01  0.129326D+01  0.187083D+01 -0.341500D+02
      2   0.163912D+00  0.129326D+01  0.657442D+00 -0.111852D+01 -0.787608D+01
      3   0.185889D+00  0.187083D+01 -0.111852D+01  0.371658D+00 -0.951061D+00
                11            12            13            14            15 
      1  -0.787608D+01 -0.951061D+00  0.523338D+02  0.519929D+01  0.311603D+01
      2  -0.579397D+00 -0.350377D+00  0.519929D+01  0.624283D+01 -0.116095D+00
      3  -0.350377D+00 -0.954972D-02  0.311603D+01 -0.116095D+00 -0.399330D+00
                16            17            18            19            20 
      1  -0.850717D+01 -0.130022D+01 -0.872088D+00 -0.597182D+02 -0.109936D+02
      2  -0.130022D+01 -0.552292D+00  0.101218D+01 -0.109936D+02 -0.980787D+01
      3  -0.872088D+00  0.101218D+01 -0.124420D+00 -0.125274D+01  0.355908D+00
                21            22            23            24            25 
      1  -0.125274D+01 -0.199353D+02 -0.239919D+01  0.344137D+00 -0.285453D+01
      2   0.355908D+00 -0.239919D+01 -0.477528D+01 -0.597253D+00  0.265494D+00
      3  -0.746954D+00  0.344137D+00 -0.597253D+00 -0.240834D+01  0.120385D+01
                26            27            28            29            30 
      1   0.265494D+00  0.120385D+01  0.614813D+02  0.475126D+01  0.109408D+01
      2  -0.120463D+01 -0.376714D+01  0.475126D+01  0.658542D+01 -0.377605D-01
      3  -0.376714D+01  0.129015D+01  0.109408D+01 -0.377605D-01  0.261385D+01
                31            32            33            34            35 
      1   0.152494D+01  0.469064D+01  0.407948D+00  0.120699D+01  0.800023D+00
      2   0.469064D+01  0.148060D+02 -0.700543D+00  0.800023D+00 -0.268457D+00
      3   0.407948D+00 -0.700543D+00  0.531302D+00  0.688648D+01  0.581109D+00
                36            37            38            39            40 
      1   0.688648D+01  0.723315D+01 -0.810300D+00  0.354951D+00  0.131515D+02
      2   0.581109D+00 -0.810300D+00  0.135502D+02 -0.998951D+00  0.140152D+00
      3   0.742547D+00  0.354951D+00 -0.998951D+00  0.243837D+01  0.657589D+00
                41            42            43            44            45 
      1   0.140152D+00  0.657589D+00 -0.417193D+00  0.214254D+00  0.450746D+01
      2  -0.909326D+01  0.118032D+01  0.214254D+00  0.262094D+01  0.182226D+01
      3   0.118032D+01  0.101913D+01  0.450746D+01  0.182226D+01  0.674863D+00
                46            47            48            49            50 
      1  -0.936839D+01  0.272067D+01 -0.138013D+01  0.346360D+01  0.374443D+01
      2   0.272067D+01 -0.955519D+01  0.216720D+00  0.374443D+01  0.109778D+01
      3  -0.138013D+01  0.216720D+00 -0.151783D+01 -0.279336D+00  0.936685D+00
                51            52            53            54            55 
      1  -0.279336D+00 -0.103097D+01 -0.720213D+00 -0.633376D+00  0.467587D+00
      2   0.936685D+00 -0.720213D+00  0.113278D+00  0.462806D+01 -0.312029D+01
      3   0.180348D+01 -0.633376D+00  0.462806D+01 -0.119611D+01  0.442857D+00
                56            57            58            59            60 
      1  -0.312029D+01  0.442857D+00 -0.492834D+01 -0.465635D+01  0.359833D+00
      2   0.660055D+01 -0.452240D+00 -0.465635D+01 -0.249643D+01 -0.721409D+00
      3  -0.452240D+00  0.222082D+01  0.359833D+00 -0.721409D+00 -0.174723D+01
                61            62            63            64            65 
      1   0.803805D+00  0.556365D+00 -0.471184D+00  0.336258D+00 -0.202323D+01
      2   0.556365D+00 -0.813784D-01 -0.437030D+01 -0.202323D+01  0.106734D+01
      3  -0.471184D+00 -0.437030D+01  0.145515D+01  0.305212D+00 -0.279365D+00
                66            67            68            69            70 
      1   0.305212D+00 -0.200926D+01  0.278613D+01 -0.508768D+00  0.530298D+00
      2  -0.279365D+00  0.278613D+01 -0.781468D+01  0.114606D+01 -0.532011D+00
      3   0.123892D+00 -0.508768D+00  0.114606D+01 -0.853926D+00 -0.664397D-01
                71            72            73            74            75 
      1  -0.532011D+00 -0.664397D-01  0.713656D+01  0.328468D+01  0.304792D+00
      2   0.100605D+01 -0.258547D+00  0.328468D+01  0.279284D+01 -0.189459D-01
      3  -0.258547D+00  0.185321D+00  0.304792D+00 -0.189459D-01  0.490915D+00
                76            77            78            79            80 
      1   0.451088D+01  0.424088D+01 -0.122634D+00  0.275285D+00 -0.370819D+00
      2   0.424088D+01  0.420041D+01 -0.963944D-02 -0.370819D+00 -0.251824D+00
      3  -0.122634D+00 -0.963944D-02  0.544430D+00 -0.353321D+00  0.281005D+00
                81            82            83            84            85 
      1  -0.353321D+00 -0.499792D+00  0.140787D+01 -0.197071D+00  0.521766D+00
      2   0.281005D+00  0.140787D+01 -0.164006D+01  0.266725D+00 -0.656589D+00
      3  -0.183505D+00 -0.197071D+00  0.266725D+00 -0.107534D+00  0.406130D-01
                86            87            88            89            90 
      1  -0.656589D+00  0.406130D-01 -0.222164D+00  0.229499D+00  0.849946D-01
      2   0.111127D+02 -0.108418D+01  0.229499D+00 -0.134901D+01  0.209991D+00
      3  -0.108418D+01  0.921823D+00  0.849946D-01  0.209991D+00 -0.138520D+00
                91            92            93            94            95 
      1  -0.239061D+02 -0.201213D+01 -0.607948D-01 -0.558369D+00 -0.231447D+00
      2  -0.201213D+01  0.335131D+00 -0.621629D+00 -0.231447D+00  0.502397D+01
      3  -0.607948D-01 -0.621629D+00 -0.379149D+01 -0.243032D+01 -0.767686D+00
                96            97            98            99           100 
      1  -0.243032D+01  0.155660D+01 -0.141504D+01 -0.869530D+01 -0.663315D+01
      2  -0.767686D+00 -0.141504D+01 -0.502924D+00 -0.950792D+00  0.283578D+01
      3  -0.106384D+01 -0.869530D+01 -0.950792D+00  0.368642D+00 -0.189210D+01
               101           102           103           104           105 
      1   0.283578D+01 -0.189210D+01  0.891346D+01 -0.135776D+00  0.197999D+01
      2  -0.542780D+00  0.317620D+00 -0.135776D+00 -0.477339D+01 -0.941502D-01
      3   0.317620D+00  0.387348D+01  0.197999D+01 -0.941502D-01  0.288308D+01
               106           107           108           109           110 
      1   0.509400D+01  0.117076D+01  0.602085D+01 -0.792543D+01 -0.174326D+01
      2   0.117076D+01  0.640790D+00  0.201482D+01 -0.174326D+01 -0.339746D+00
      3   0.602085D+01  0.201482D+01 -0.441270D+00  0.945563D+00  0.644053D+00
               111           112           113           114           115 
      1   0.945563D+00 -0.301718D+01 -0.132664D+00  0.166491D+01 -0.121131D+02
      2   0.644053D+00 -0.132664D+00 -0.916651D+00 -0.712641D-01  0.363182D+00
      3   0.171766D+01  0.166491D+01 -0.712641D-01  0.682717D+00  0.563306D+01
               116           117           118           119           120 
      1   0.363182D+00  0.563306D+01 -0.158199D+01 -0.990644D+00  0.102382D+00
      2  -0.110154D+01  0.425053D+00 -0.990644D+00  0.423832D+00 -0.149271D-01
      3   0.425053D+00 -0.104933D+01  0.102382D+00 -0.149271D-01  0.743180D+00
               121           122           123           124           125 
      1  -0.291545D+01  0.185218D+01 -0.118681D+00 -0.465183D+00 -0.103342D+00
      2   0.185218D+01 -0.667833D+01  0.866105D+00 -0.103342D+00  0.744090D+00
      3  -0.118681D+00  0.866105D+00 -0.154771D+01  0.119431D+01 -0.986912D+00
               126           127           128           129           130 
      1   0.119431D+01  0.161584D+02 -0.162421D+01  0.388938D+01 -0.433271D+01
      2  -0.986912D+00 -0.162421D+01  0.125241D+01 -0.259741D+00  0.170691D+01
      3   0.742729D+00  0.388938D+01 -0.259741D+00  0.223459D+01 -0.133113D+01
               131           132           133           134           135 
      1   0.170691D+01 -0.133113D+01  0.132082D+01 -0.347123D+00  0.127930D+01
      2  -0.528719D+00  0.459954D+00 -0.347123D+00 -0.526872D-01 -0.467353D+00
      3   0.459954D+00 -0.117732D+01  0.127930D+01 -0.467353D+00  0.741877D+00
               136           137           138           139           140 
      1  -0.470731D+00 -0.401587D+00  0.961125D+00 -0.120857D+01  0.703774D-01
      2  -0.401587D+00 -0.459638D+00  0.175962D+00  0.703774D-01 -0.146279D+00
      3   0.961125D+00  0.175962D+00 -0.343688D+01 -0.262272D+00  0.115048D+01
               141           142           143           144           145 
      1  -0.262272D+00  0.392946D+00 -0.953717D-01 -0.481274D+00  0.107760D+01
      2   0.115048D+01 -0.953717D-01  0.977115D+00 -0.866853D+00  0.765222D+00
      3  -0.196622D+01 -0.481274D+00 -0.866853D+00  0.764679D+01  0.132884D+00
               146           147           148           149           150 
      1   0.765222D+00  0.132884D+00  0.255909D+01  0.127649D+01  0.970599D+00
      2   0.509954D+00  0.422567D-01  0.127649D+01  0.642279D+01  0.115212D+01
      3   0.422567D-01 -0.378796D+00  0.970599D+00  0.115212D+01  0.175962D+01
               151           152           153           154           155 
      1  -0.390295D+00  0.906532D-01 -0.216631D+00  0.217714D+02  0.229545D+01
      2   0.906532D-01  0.331803D-01  0.614905D+00  0.229545D+01  0.165671D+01
      3  -0.216631D+00  0.614905D+00  0.364171D+00 -0.173795D+01 -0.146585D+00
               156           157           158           159           160 
      1  -0.173795D+01  0.527174D+01  0.424488D+01 -0.842905D+00 -0.220199D+01
      2  -0.146585D+00  0.424488D+01  0.213570D+01 -0.345889D+00 -0.472226D+00
      3   0.279851D+01 -0.842905D+00 -0.345889D+00  0.745207D+00  0.254990D+01
               161           162           163           164           165 
      1  -0.472226D+00  0.254990D+01  0.164204D+02 -0.742278D-02 -0.483802D+01
      2   0.353519D+00  0.639705D+00 -0.742278D-02  0.993256D-01  0.562633D+00
      3   0.639705D+00 -0.377786D-02 -0.483802D+01  0.562633D+00  0.117122D+01
               166           167           168           169           170 
      1   0.351556D+01 -0.362737D-01 -0.597823D+00 -0.861686D+00  0.762341D+00
      2  -0.362737D-01 -0.648287D+00 -0.149765D+01  0.762341D+00 -0.564868D+00
      3  -0.597823D+00 -0.149765D+01 -0.832201D-01  0.683741D+00 -0.100384D+01
               171           172           173           174           175 
      1   0.683741D+00 -0.124053D+02  0.207950D+00  0.260798D+01 -0.152167D+01
      2  -0.100384D+01  0.207950D+00 -0.353863D+00 -0.825309D+00  0.272344D+00
      3  -0.748459D+01  0.260798D+01 -0.825309D+00 -0.320192D+01  0.164225D+00
               176           177           178           179           180 
      1   0.272344D+00  0.164225D+00  0.758504D+01 -0.634050D+00 -0.265349D+01
      2  -0.863053D+00 -0.875468D+00 -0.634050D+00 -0.105934D+01  0.475542D-01
      3  -0.875468D+00 -0.731018D+00 -0.265349D+01  0.475542D-01 -0.392924D+00
               181           182           183           184           185 
      1  -0.629501D+01 -0.252300D+00  0.117547D+00 -0.166446D+02 -0.115203D+01
      2  -0.252300D+00 -0.113174D+02  0.130643D+01 -0.115203D+01  0.584526D+01
      3   0.117547D+00  0.130643D+01 -0.291710D+01 -0.152737D+01 -0.137763D+01
               186           187           188           189           190 
      1  -0.152737D+01  0.210907D+01 -0.167189D+00 -0.437910D+01 -0.396356D+02
      2  -0.137763D+01 -0.167189D+00 -0.216307D+01 -0.250721D+01 -0.545067D+01
      3  -0.140753D+01 -0.437910D+01 -0.250721D+01 -0.194232D+00 -0.117835D+01
               191           192           193           194           195 
      1  -0.545067D+01 -0.117835D+01  0.929142D+00 -0.418405D+01 -0.844275D-01
      2  -0.108463D+02  0.391215D+00 -0.418405D+01 -0.121061D+02  0.135019D+01
      3   0.391215D+00 -0.408346D+01 -0.844275D-01  0.135019D+01  0.504727D+00
               196           197           198           199           200 
      1  -0.208936D+01 -0.799417D+00 -0.773155D+01  0.436574D+02  0.107406D+02
      2  -0.799417D+00  0.307333D+00 -0.479321D+00  0.107406D+02  0.779934D+01
      3  -0.773155D+01 -0.479321D+00 -0.143651D+01  0.149701D+01 -0.603232D+00
               201           202           203           204           205 
      1   0.149701D+01  0.161511D+02  0.307536D+01  0.548880D+00  0.196539D+01
      2  -0.603232D+00  0.307536D+01  0.559183D+01  0.378345D+00  0.976491D-01
      3   0.768941D+00  0.548880D+00  0.378345D+00  0.256431D+01 -0.214081D+00
               206           207           208           209           210 
      1   0.976491D-01 -0.214081D+00  0.807686D+01  0.399951D+01  0.240413D+00
      2   0.110638D+01  0.469061D+01  0.399951D+01  0.405328D+01 -0.983611D-01
      3   0.469061D+01 -0.130550D+01  0.240413D+00 -0.983611D-01  0.199387D+00
               211           212           213           214           215 
      1  -0.466342D+01 -0.401505D+01  0.191461D+00  0.113112D+01  0.723615D+00
      2  -0.401505D+01  0.107953D+01 -0.522990D+00  0.723615D+00  0.374119D+00
      3   0.191461D+00 -0.522990D+00 -0.139909D+01  0.217578D+00  0.758257D+00
               216           217           218           219           220 
      1   0.217578D+00 -0.258549D+01 -0.477422D+01 -0.675749D-01 -0.153566D+01
      2   0.758257D+00 -0.477422D+01 -0.801184D+00 -0.625839D+00  0.376117D+01
      3   0.410048D-01 -0.675749D-01 -0.625839D+00  0.969579D+00 -0.763638D+00
               221           222           223           224           225 
      1   0.376117D+01 -0.763638D+00 -0.656461D+00 -0.814928D+00  0.370565D+01
      2   0.126322D+01  0.134283D+01 -0.814928D+00  0.834116D+00  0.461658D+01
      3   0.134283D+01  0.639395D+01  0.370565D+01  0.461658D+01 -0.110291D+01
               226           227           228           229           230 
      1   0.407072D-01 -0.138199D+01  0.161244D+00 -0.210768D+00  0.575993D-01
      2  -0.138199D+01  0.159084D+01 -0.286042D+00  0.575993D-01 -0.105347D+02
      3   0.161244D+00 -0.286042D+00  0.951744D-01  0.280948D-01  0.111666D+01
               231           232           233           234           235 
      1   0.280948D-01 -0.121455D-01 -0.115195D+00 -0.478987D-01 -0.789384D+01
      2   0.111666D+01 -0.115195D+00  0.124951D+01 -0.205346D+00 -0.347528D+01
      3  -0.890499D+00 -0.478987D-01 -0.205346D+00  0.114460D+00 -0.246576D+00
               236           237           238           239           240 
      1  -0.347528D+01 -0.246576D+00 -0.514934D+01 -0.438043D+01  0.182320D+00
      2  -0.271403D+01  0.186733D-01 -0.438043D+01 -0.421032D+01  0.696410D-01
      3   0.186733D-01 -0.262237D+00  0.182320D+00  0.696410D-01 -0.444395D+00
               241           242           243           244           245 
      1  -0.203498D+00  0.256546D+00  0.481363D+00 -0.705883D+00  0.221754D+01
      2   0.256546D+00  0.214364D+00 -0.832460D-01  0.221754D+01 -0.175035D+01
      3   0.481363D+00 -0.832460D-01  0.148076D+00 -0.253673D+00  0.325185D+00
               246           247           248           249           250 
      1  -0.253673D+00  0.272683D+01 -0.347737D+01  0.471606D+00 -0.302245D+00
      2   0.325185D+00 -0.347737D+01  0.901286D+01 -0.109963D+01  0.534898D+00
      3  -0.290944D+00  0.471606D+00 -0.109963D+01  0.972148D+00 -0.234479D+00
               251           252           253           254           255 
      1   0.534898D+00 -0.234479D+00 -0.737432D+00 -0.277028D+00  0.161708D+01
      2  -0.109214D+01  0.197174D+00 -0.277028D+00 -0.256665D-02  0.495341D+00
      3   0.197174D+00 -0.147949D+00  0.161708D+01  0.495341D+00 -0.415374D+00
               256           257           258           259           260 
      1  -0.248612D+01 -0.209591D+01  0.163349D+01  0.629653D+01  0.178304D+01
      2  -0.209591D+01 -0.188112D+01  0.157025D+01  0.178304D+01  0.170792D+01
      3   0.163349D+01  0.157025D+01 -0.258370D+01 -0.401173D+01 -0.251140D+01
               261           262           263           264           265 
      1  -0.401173D+01  0.578395D+00 -0.210377D+00 -0.952362D+00 -0.304681D+01
      2  -0.251140D+01 -0.210377D+00  0.195457D+00 -0.123934D+00 -0.249276D+01
      3   0.539881D+01 -0.952362D+00 -0.123934D+00  0.152774D+00 -0.185418D+01
               266           267           268           269           270 
      1  -0.249276D+01 -0.185418D+01 -0.444665D+01 -0.165778D+01 -0.343933D+01
      2  -0.319539D+01 -0.260211D+01 -0.165778D+01 -0.235460D+01 -0.301821D+01
      3  -0.260211D+01 -0.330322D+01 -0.343933D+01 -0.301821D+01 -0.468037D+01
               271           272           273           274           275 
      1  -0.134314D+02  0.344329D+01 -0.121450D+01  0.731951D+01 -0.275923D+01
      2   0.344329D+01 -0.140720D+01  0.319139D+00 -0.275923D+01  0.210753D+01
      3  -0.121450D+01  0.319139D+00 -0.110450D+01  0.658794D+00 -0.399968D+00
               276           277           278           279 
      1   0.658794D+00 -0.162587D+01  0.403339D+00 -0.181811D+01
      2  -0.399968D+00  0.403339D+00 -0.341405D+00  0.557077D-01
      3   0.494778D+00 -0.181811D+01  0.557077D-01 -0.404336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.975148D+00 -0.379103D+01  0.136883D+00 -0.323534D+01 -0.212333D+01
      2  -0.127552D+02  0.404235D+01  0.999351D-01  0.147699D+02  0.292354D+01
      3  -0.731282D+01  0.465157D+02 -0.575024D+01  0.450985D+02  0.232476D+02
                 6             7             8             9            10 
      1   0.799445D-01  0.414515D+01  0.641822D+01 -0.602841D+00 -0.189766D+01
      2  -0.190984D+00 -0.223694D+02 -0.253219D+01 -0.160592D+01  0.160397D+02
      3   0.564775D-01 -0.123701D+01  0.187710D+01 -0.213795D+01  0.241479D+02
                11            12            13            14            15 
      1  -0.500537D+01 -0.300157D+00 -0.452506D+01  0.474275D+00  0.634305D+00
      2   0.784123D+01 -0.535415D+01 -0.823361D+01  0.132755D+01  0.133808D+00
      3   0.544530D+02 -0.395594D+01  0.634881D+02  0.187911D+02  0.274842D+01
                16            17            18            19            20 
      1   0.326844D+01  0.623424D+01 -0.542417D+00 -0.173548D+01  0.754778D+00
      2  -0.222570D+02 -0.542991D+00 -0.181018D+01  0.233890D+02 -0.369663D+00
      3  -0.137008D+01  0.301157D+01  0.127259D+01  0.237789D+02 -0.340816D+02
                21            22            23            24            25 
      1  -0.114882D+01  0.189784D+01 -0.233423D+01 -0.344211D+01  0.485375D+01
      2  -0.109968D+01  0.656095D+01  0.950143D+00 -0.258787D+01 -0.186618D+02
      3   0.570495D+01  0.110622D+02  0.513150D+01  0.517486D+00  0.140776D+01
                26            27            28            29            30 
      1  -0.839243D+00 -0.130782D+01 -0.305163D+01 -0.860676D+00  0.534721D+00
      2  -0.783347D+01  0.502472D+00 -0.229293D+02 -0.883076D+00  0.197477D+01
      3  -0.212485D+01  0.465265D+01  0.456785D+00  0.879840D+01 -0.166155D+01
                31            32            33            34            35 
      1  -0.498758D+01  0.609943D+01  0.215809D+01  0.258630D+01  0.151024D+02
      2   0.268799D+01 -0.176050D+01  0.209157D+01 -0.188136D+02 -0.240768D+01
      3   0.324849D+02  0.419417D+01 -0.120920D+01  0.353213D+00  0.146693D+01
                36            37            38            39            40 
      1  -0.112927D+01 -0.126383D+01  0.190902D+01 -0.585202D+01 -0.942765D+00
      2  -0.177189D+01  0.359823D+01  0.215507D+00  0.331701D+01 -0.833555D+01
      3  -0.201905D+01  0.349579D+02  0.139337D+01  0.660226D+00 -0.120581D+02
                41            42            43            44            45 
      1  -0.222281D+01  0.116942D+00 -0.162937D+02  0.973776D+01 -0.239793D+01
      2   0.178978D+01  0.657562D+00 -0.759379D+01  0.681903D+01 -0.135740D+01
      3   0.516973D+01  0.921617D+00  0.300997D+01  0.144865D+01  0.631378D+01
                46            47            48            49            50 
      1   0.411791D+01  0.123886D+01  0.508773D+01  0.272677D+01  0.128257D+01
      2  -0.585575D+01 -0.549993D+01  0.212157D+00 -0.462317D+01 -0.373037D+01
      3  -0.650555D+02 -0.356989D+02  0.445203D+00 -0.116311D+02 -0.259932D+02
                51            52            53            54            55 
      1  -0.377091D+01  0.578639D+01 -0.449911D+01  0.340155D+01  0.138675D+01
      2   0.865832D+00 -0.185316D+02  0.267042D+01 -0.219128D+01  0.297993D+00
      3   0.710915D+00 -0.185904D+01 -0.136744D+01 -0.574299D+01 -0.316116D+02
                56            57            58            59            60 
      1   0.534163D+01  0.461841D+01 -0.767083D-01  0.113833D+01 -0.374949D+01
      2  -0.522541D+01 -0.652109D+01 -0.124107D+01 -0.867162D+00  0.379324D+01
      3  -0.373378D+02  0.410420D+01 -0.151161D+01 -0.288895D+02  0.132440D+01
                61            62            63            64            65 
      1   0.284693D+01 -0.397275D+01  0.169801D+01 -0.554067D+00 -0.150774D-01
      2  -0.240758D+02  0.694491D+01 -0.470234D+01  0.352579D+00  0.516939D+00
      3   0.113608D+01 -0.230213D+01 -0.101824D+02  0.977050D+00  0.258462D+00
                66            67            68            69            70 
      1   0.755011D+00  0.611269D+00 -0.193989D+01 -0.370507D+01 -0.141746D+00
      2   0.151476D+00  0.851350D+00  0.150556D+00 -0.128552D+01 -0.202487D+01
      3   0.950802D-01  0.417831D+01  0.570196D+01 -0.674182D+00 -0.144077D+00
                71            72            73            74            75 
      1   0.256807D+01  0.407177D+00 -0.725626D+00  0.241340D+00 -0.273311D+01
      2   0.958271D+00 -0.614190D-02 -0.790706D+00 -0.741091D+00  0.230055D+01
      3  -0.818766D+00 -0.498539D+00  0.114060D+02  0.101759D+00  0.700246D+00
                76            77            78            79            80 
      1   0.129415D+01  0.944287D+00 -0.252621D+01  0.202200D+01  0.982005D+00
      2  -0.155649D+01 -0.999863D+00  0.258187D+01 -0.252428D+01  0.229875D+00
      3   0.174133D+01 -0.164487D+01 -0.195785D+00  0.224269D+01 -0.139058D+00
                81            82            83            84            85 
      1   0.350395D+00  0.708118D+00 -0.684196D+00  0.967564D+00 -0.289559D+00
      2  -0.425126D+00 -0.455329D+00  0.556109D-01  0.508461D+00  0.351124D+00
      3  -0.832686D+00 -0.462655D+01  0.218352D+01 -0.602940D+00  0.489771D+01
                86            87            88            89            90 
      1   0.269630D+01 -0.516746D+01 -0.102184D+01  0.192233D+01  0.307257D+00
      2  -0.367141D+00 -0.645166D+00 -0.744021D+00 -0.106535D+01  0.320973D+00
      3  -0.370801D+01  0.583389D+00 -0.100229D+01  0.112929D+01  0.111022D+01
                91            92            93            94            95 
      1  -0.159385D+01 -0.356162D+00 -0.139127D+01 -0.248225D+01  0.257651D+01
      2   0.166646D+02 -0.130705D+01 -0.923734D+01 -0.623803D+01 -0.244464D+01
      3   0.678633D+01 -0.766356D+01  0.224789D+01  0.984193D+01 -0.232731D+02
                96            97            98            99           100 
      1  -0.340000D+01 -0.514644D+01  0.285406D+01 -0.728694D+00  0.583173D+01
      2  -0.164399D+01 -0.409900D+02 -0.249116D+01  0.557711D+01  0.106404D+02
      3   0.436214D+01  0.495318D+01  0.404191D+01  0.645102D+01 -0.185921D+02
               101           102           103           104           105 
      1   0.740870D+00 -0.509856D-01 -0.206204D+01 -0.120840D+02 -0.383278D+01
      2  -0.281243D+01  0.238470D+02 -0.175800D+01  0.835837D+00  0.968430D+01
      3  -0.187889D+01 -0.320052D+01  0.447099D+01  0.257776D+02  0.707600D+00
               106           107           108           109           110 
      1   0.228531D+01  0.186833D+01  0.713177D+01  0.793756D+01  0.324135D+01
      2   0.179120D+02  0.736822D+01 -0.121044D+02 -0.171750D+02  0.102291D+01
      3  -0.537943D+01 -0.536549D+00 -0.963499D+01  0.355233D+01  0.153895D+02
               111           112           113           114           115 
      1   0.685019D+01  0.143345D+02 -0.747027D+00 -0.163354D+02  0.692059D+01
      2   0.312177D+01  0.566232D+01 -0.730390D+00 -0.642817D+01  0.168981D+02
      3  -0.519959D+00  0.199952D+02  0.125538D+02 -0.303830D+01  0.744049D+00
               116           117           118           119           120 
      1  -0.513686D+01 -0.692529D+00 -0.432459D+00  0.479453D+00  0.233262D+00
      2  -0.138180D+01 -0.780117D+00  0.136664D+01  0.488150D+00  0.315919D+01
      3  -0.257255D+01 -0.426642D+01  0.696434D+01 -0.159660D+01 -0.183836D+00
               121           122           123           124           125 
      1   0.707448D+00 -0.409612D+01 -0.214001D+01  0.263304D+00  0.841709D+00
      2   0.106539D+01  0.185094D+01 -0.489463D+01  0.233608D+01 -0.276711D+01
      3  -0.151656D+01  0.243922D+02 -0.320256D+01  0.628788D+00 -0.261869D+01
               126           127           128           129           130 
      1   0.453539D+00 -0.320076D+01  0.372442D+01 -0.144394D+00  0.350395D+01
      2   0.166312D+01 -0.114380D+02  0.202852D+01  0.656105D+01  0.183201D+01
      3   0.251839D+01  0.885509D+01 -0.887116D+01  0.154827D+01 -0.709550D+01
               131           132           133           134           135 
      1  -0.616054D+00 -0.270113D+00 -0.102155D+01  0.842655D+00 -0.105270D+01
      2  -0.109759D+01 -0.351479D+01  0.245023D+01 -0.108535D+01  0.629640D+00
      3   0.141388D+01 -0.180452D+01  0.940100D+00 -0.177259D+01  0.222301D+01
               136           137           138           139           140 
      1  -0.169647D+01 -0.247728D+01  0.701302D+00 -0.734937D+00 -0.623457D+00
      2   0.767220D+01  0.187935D+01 -0.149788D+02  0.159308D+01  0.439808D+01
      3   0.214923D+01  0.174342D+01 -0.834984D+00  0.132037D+01  0.269550D+00
               141           142           143           144           145 
      1   0.132683D+01  0.400258D-01  0.418601D+01 -0.282291D+01  0.262961D+01
      2  -0.746864D+01 -0.660211D+01 -0.386303D+01  0.312688D+02 -0.813141D+00
      3  -0.421254D+01  0.504701D+00 -0.316279D+01  0.377540D+01 -0.456993D+01
               146           147           148           149           150 
      1   0.799049D+00  0.366292D+00  0.114828D+01  0.145765D+02 -0.106790D+01
      2  -0.114789D+01 -0.132747D+01 -0.530283D+00  0.218783D+01  0.564175D+01
      3  -0.162031D+01 -0.748238D+00 -0.548425D+00 -0.285619D+02 -0.358536D+01
               151           152           153           154           155 
      1   0.469705D+00  0.698951D+00  0.117091D+01 -0.609497D+01 -0.330221D+01
      2  -0.109471D+01  0.190509D+01  0.164968D+01  0.700049D+01  0.928526D+00
      3  -0.186740D+01  0.540397D+00 -0.270305D+01 -0.142283D+02 -0.235127D+02
               156           157           158           159           160 
      1  -0.226615D+01 -0.962705D+01 -0.255667D+01  0.782123D+00 -0.404143D+00
      2   0.228632D+02 -0.513453D+01  0.139064D+01  0.778993D+01  0.680125D+01
      3   0.283592D+00 -0.183417D+02 -0.147776D+02  0.230477D+01  0.137369D+01
               161           162           163           164           165 
      1   0.335186D+01 -0.831368D+00 -0.848742D+01 -0.176147D+01  0.223604D-01
      2   0.271559D+01  0.499119D+00  0.129650D+02  0.326359D+01  0.173703D+01
      3   0.197760D+01 -0.321017D+01 -0.105540D+02 -0.391438D+01  0.613470D+00
               166           167           168           169           170 
      1  -0.575712D+01  0.200461D+01  0.473118D+01  0.221713D+01  0.857635D+01
      2   0.407798D+01 -0.618532D+01  0.988425D+00 -0.809476D+01 -0.317241D+01
      3  -0.258425D+01  0.237821D+01  0.761375D+01 -0.869256D+00  0.339823D+01
               171           172           173           174           175 
      1  -0.368070D+01  0.735495D+01  0.131783D+01 -0.273742D+01  0.588657D+01
      2  -0.263121D+02 -0.240063D+02 -0.312425D+01 -0.676713D+01 -0.414049D+01
      3   0.426693D+01  0.105497D+02  0.220900D+01  0.265142D+00  0.610752D+01
               176           177           178           179           180 
      1  -0.791626D+00 -0.247659D+01 -0.330224D+01 -0.599637D+00  0.113738D+01
      2  -0.307101D+01 -0.175183D+01 -0.112109D+01 -0.335896D+00 -0.322185D+01
      3   0.107054D+01  0.155660D+01 -0.359118D+01 -0.411799D+00  0.170586D+01
               181           182           183           184           185 
      1   0.280120D+00 -0.420835D+01 -0.590489D+01 -0.152633D+00  0.119879D+01
      2   0.244612D+01  0.163962D+01  0.979340D+01  0.109089D+01  0.235349D+01
      3   0.162809D+02  0.822066D+01 -0.130427D+01 -0.164622D+02  0.769430D+01
               186           187           188           189           190 
      1  -0.119748D+01 -0.134176D+02  0.711809D+01 -0.275990D+01 -0.242081D+01
      2   0.410796D+01 -0.230551D+01  0.124430D+02  0.536620D-01  0.120648D+02
      3  -0.224818D+01  0.198438D+01 -0.747407D+00  0.766214D+00  0.267846D+02
               191           192           193           194           195 
      1  -0.525050D+01  0.176258D+01 -0.513243D+01 -0.113068D+01  0.341796D+01
      2   0.495681D+01  0.210954D+01  0.710463D+01  0.239814D+01 -0.715183D+00
      3   0.248739D+02 -0.696013D+00  0.530394D+02  0.110463D+02  0.308544D+01
               196           197           198           199           200 
      1  -0.917083D-01  0.146299D+02 -0.194181D+01  0.638590D+00  0.499247D+01
      2   0.336384D+01 -0.499628D+01  0.286238D+01 -0.113360D+02 -0.647888D+01
      3  -0.382430D+01  0.262792D+01 -0.497922D+00 -0.579744D+01 -0.472430D+02
               201           202           203           204           205 
      1  -0.469747D+00  0.186592D+01  0.187398D+01 -0.334714D+01  0.581965D+01
      2   0.269574D+01 -0.627204D+01 -0.470183D+01 -0.564769D+01 -0.202250D+02
      3   0.350605D+01 -0.791116D+01 -0.126301D+02  0.186870D+01  0.208840D+01
               206           207           208           209           210 
      1   0.128965D+01  0.108437D+01  0.203507D+01  0.452900D+01 -0.151880D+01
      2  -0.173688D+02  0.233563D+01 -0.344959D+01 -0.418927D+01  0.147223D+02
      3   0.401956D+00  0.893017D+01 -0.129642D+02 -0.445197D+02  0.174832D+01
               211           212           213           214           215 
      1  -0.601347D+00 -0.161068D+01 -0.458386D+01 -0.277782D+01 -0.168435D+01
      2  -0.539190D+00  0.302680D+01  0.666705D+01 -0.767758D+01 -0.177227D+01
      3  -0.159313D+01  0.140878D+02 -0.224835D+01 -0.719528D+00 -0.488511D+01
               216           217           218           219           220 
      1   0.261005D+00  0.411082D+00 -0.184221D+01  0.127040D+01 -0.114959D+01
      2   0.300867D+00  0.156451D+00  0.474205D+01 -0.755852D+01  0.473945D+01
      3   0.355075D+01 -0.297843D+02  0.164990D+02 -0.599439D+01  0.365360D+02
               221           222           223           224           225 
      1  -0.746659D+00  0.308221D+01  0.129562D+02  0.491071D+01 -0.149628D+01
      2  -0.632517D+01 -0.413832D+02 -0.278388D+02 -0.305967D+02  0.782502D+01
      3   0.229768D+02  0.861399D+01 -0.511396D+01  0.618185D+01  0.308046D+02
               226           227           228           229           230 
      1   0.147602D+00 -0.173537D+00  0.881982D+00  0.350783D-01 -0.630626D+00
      2  -0.715015D+00  0.863865D+00  0.256366D+00  0.372525D+00 -0.222279D+01
      3  -0.631077D+01  0.441077D+01 -0.101510D+01  0.377876D+01 -0.212333D+02
               231           232           233           234           235 
      1  -0.454803D+01  0.206909D-01  0.291163D+01  0.179820D+00 -0.117909D+01
      2   0.926413D+00 -0.508480D-01 -0.402490D+00  0.833112D-01  0.246440D+01
      3   0.236225D+01 -0.936486D+00  0.310288D+01  0.293920D+00  0.550992D+01
               236           237           238           239           240 
      1  -0.366968D+00 -0.181522D+01  0.768384D-01 -0.143804D+00 -0.236068D+01
      2   0.389065D+00  0.205943D+01 -0.895521D-01  0.120181D+00  0.289443D+01
      3  -0.542617D+01  0.769962D+00 -0.587871D+01 -0.105803D+02  0.775962D-01
               241           242           243           244           245 
      1   0.244797D+01  0.937314D+00  0.291170D+00  0.122446D+00 -0.235464D+00
      2  -0.317791D+01 -0.315715D-01 -0.707994D+00  0.626205D+00 -0.720770D+00
      3   0.177466D+01  0.635607D+00 -0.112211D+01  0.391387D+01 -0.273753D+01
               246           247           248           249           250 
      1   0.985000D+00 -0.351241D+00  0.555105D-01 -0.408414D+01 -0.394554D+00
      2   0.123161D+01 -0.872494D+00  0.283729D+01 -0.318464D+01 -0.204380D+01
      3   0.548886D+00 -0.219213D+01  0.216287D+02 -0.241670D+01  0.816981D+00
               251           252           253           254           255 
      1   0.179755D+01  0.325012D+00 -0.359060D+00  0.217565D+00 -0.113744D+00
      2   0.176659D+00  0.243450D+00 -0.106188D+02 -0.296176D+01  0.339540D+01
      3  -0.247424D+01  0.523968D-02 -0.389242D+01 -0.283110D+01  0.285330D+01
               256           257           258           259           260 
      1   0.160251D+01  0.994473D+00 -0.274523D+01 -0.381359D+01  0.102505D+01
      2  -0.849731D+01 -0.976006D+01  0.165121D+02  0.204865D+02  0.164670D+02
      3  -0.126583D+02 -0.166503D+02  0.100693D+02  0.991811D+01  0.141120D+02
               261           262           263           264           265 
      1   0.452535D+01  0.124253D+01 -0.435616D-01  0.767633D+00 -0.465991D+00
      2  -0.333497D+02  0.657022D+01  0.740780D-02 -0.339452D+00  0.762984D+01
      3  -0.167201D+02 -0.373860D+01 -0.904027D+00 -0.236721D+00 -0.144277D+02
               266           267           268           269           270 
      1   0.115866D+01 -0.239122D+01 -0.191588D+01  0.199851D+01 -0.272775D+01
      2   0.139746D+02  0.195879D+02  0.154628D+02  0.179563D+02  0.263199D+02
      3  -0.253196D+02 -0.159121D+02 -0.887511D+01 -0.173802D+02 -0.192516D+02
               271           272           273           274           275 
      1  -0.112604D+01  0.846414D+00  0.505402D+00  0.783579D+00 -0.762964D+00
      2   0.412215D+01 -0.133361D+01  0.889325D+01 -0.232767D+01  0.174851D+01
      3   0.238316D+02 -0.137103D+02  0.251846D+01 -0.175218D+02  0.138705D+02
               276           277           278           279 
      1  -0.101476D+01 -0.107056D+01  0.425940D+00  0.816592D-01
      2  -0.358184D+01  0.899845D+01 -0.142237D+00  0.211317D+01
      3  -0.263895D+01  0.291239D+01 -0.263978D+01  0.179241D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.886350D+02 -0.370762D+02 -0.124441D+01  0.945733D+02 -0.715381D+01
      2   0.402073D+02  0.191671D+02  0.780488D+00 -0.439638D+02  0.105287D+02
      3   0.484278D+02  0.179091D+02  0.463918D+00 -0.506095D+02 -0.337488D+01
      4  -0.319844D+02  0.107890D+01 -0.185666D+01 -0.267993D+01  0.779071D+01
      5   0.155956D+01 -0.142162D+01  0.598743D+00 -0.333632D+01 -0.302736D+01
      6   0.152051D+01  0.146220D+01  0.932704D-01 -0.344423D+01 -0.319864D+01
                 6             7             8             9            10 
      1   0.648545D+01 -0.196682D+02 -0.307693D+01 -0.113997D+02  0.758736D+02
      2  -0.483551D+01  0.853054D+01  0.164525D+01 -0.266184D+00 -0.253558D+02
      3  -0.164994D+01  0.111377D+02  0.143169D+01  0.116658D+02 -0.505178D+02
      4  -0.133136D+01 -0.225404D+01 -0.848230D+00 -0.107844D+00  0.107604D+02
      5  -0.998429D+00  0.203613D+01  0.149406D+01 -0.161294D+01  0.191371D+01
      6  -0.477666D+00 -0.282026D+01  0.460466D+01  0.113238D+00 -0.528991D+01
                11            12            13            14            15 
      1  -0.192186D+01  0.741590D+01 -0.110173D+03 -0.194538D+02 -0.681722D+01
      2   0.201387D+01 -0.194516D+01  0.481823D+02  0.184630D+02  0.101701D+01
      3  -0.920072D-01 -0.547074D+01  0.619909D+02  0.990773D+00  0.580021D+01
      4  -0.666995D+01  0.517226D+00 -0.179931D+02 -0.145749D+02  0.552105D+00
      5  -0.195510D+01 -0.999259D+01  0.535517D+01  0.271635D+01  0.128178D+01
      6  -0.751970D+00 -0.406144D-01  0.245519D+01  0.246075D+00 -0.195830D+01
                16            17            18            19            20 
      1   0.192216D+02  0.108811D+01 -0.838641D+01  0.665788D+02  0.429315D+02
      2  -0.744166D+01 -0.136029D+01 -0.132081D+01 -0.240518D+02 -0.253779D+02
      3  -0.117799D+02  0.272184D+00  0.970722D+01 -0.425270D+02 -0.175536D+02
      4   0.307201D+01  0.116194D+00 -0.246197D+01  0.363099D+02 -0.753731D+01
      5  -0.137157D+01 -0.242187D+01 -0.228747D+01 -0.475328D+01  0.129190D+01
      6  -0.256722D+01  0.419927D+01  0.117867D+01 -0.431137D+01 -0.523709D+01
                21            22            23            24            25 
      1   0.467210D+01 -0.106088D+02  0.229824D+02 -0.995450D+00  0.864939D+01
      2  -0.147045D+01  0.210876D+02 -0.281531D+02  0.484602D+01 -0.507589D+01
      3  -0.320166D+01 -0.104787D+02  0.517069D+01 -0.385057D+01 -0.357350D+01
      4   0.223211D+01  0.172666D+02  0.219597D+01 -0.169316D+01  0.380277D+01
      5  -0.766543D+01 -0.169755D+01 -0.291250D+01 -0.902393D+01  0.117266D+02
      6   0.805167D+00 -0.532328D+01  0.454755D+01  0.605332D+01 -0.238186D+01
                26            27            28            29            30 
      1   0.473955D+01 -0.127805D+02  0.155550D+01 -0.228893D+01 -0.602539D+01
      2   0.314833D+01 -0.150668D+01 -0.268779D+02  0.101512D+01  0.760042D+00
      3  -0.788789D+01  0.142872D+02  0.253224D+02  0.127381D+01  0.526535D+01
      4  -0.291936D+01 -0.542179D+01 -0.237574D+02  0.104675D+02 -0.492290D+00
      5  -0.899069D+01  0.377115D+00  0.961292D+01  0.203316D+01  0.119554D+02
      6   0.121956D+02 -0.302379D+01  0.735171D+01  0.299642D+01 -0.256135D+01
                31            32            33            34            35 
      1  -0.491515D+02 -0.595986D+02  0.611291D+01  0.151366D+00  0.403840D+01
      2   0.388644D+02  0.513710D+02 -0.668222D+01 -0.542309D+01 -0.506641D+01
      3   0.102872D+02  0.822759D+01  0.569314D+00  0.527172D+01  0.102802D+01
      4  -0.315859D+02 -0.870184D+00 -0.106053D+01  0.524147D+01 -0.257487D+00
      5   0.582828D+01 -0.807573D+00  0.452530D+01  0.344258D+02  0.346408D+01
      6  -0.397039D+01  0.965848D+00 -0.396535D+01 -0.464775D+01  0.315010D+01
                36            37            38            39            40 
      1  -0.150452D+01 -0.176711D+02 -0.615664D+02  0.264032D+01  0.377467D+02
      2  -0.102189D+02  0.100886D+02  0.465360D+02 -0.173198D+01 -0.412695D+02
      3   0.117234D+02  0.758248D+01  0.150304D+02 -0.908339D+00  0.352278D+01
      4  -0.252306D+01 -0.846288D+01 -0.599458D+01 -0.439918D+00  0.726356D+01
      5   0.595036D+00  0.138605D+01 -0.335077D+01  0.830369D+01  0.377480D+01
      6   0.209840D+01 -0.336836D+01  0.338910D+01  0.109690D+02  0.871801D+01
                41            42            43            44            45 
      1   0.356489D+02 -0.487768D+01 -0.829624D+01 -0.125950D+02 -0.997098D+01
      2  -0.318678D+02  0.157260D+01  0.736211D+01  0.848932D+01 -0.469966D+00
      3  -0.378118D+01  0.330508D+01  0.934127D+00  0.410572D+01  0.104409D+02
      4  -0.136422D+02  0.363141D+01 -0.217847D+01  0.190086D+01  0.900197D+01
      5   0.526982D+01  0.615675D+01  0.167082D+02  0.582425D+01  0.241549D+00
      6  -0.862320D+00  0.128759D+01  0.190542D+02  0.806683D+01  0.548688D+01
                46            47            48            49            50 
      1   0.238193D+02  0.408280D+02  0.134845D+01 -0.200445D+02 -0.327879D+01
      2  -0.201940D+02 -0.314449D+02 -0.507444D+00  0.139590D+02 -0.103818D+02
      3  -0.362532D+01 -0.938306D+01 -0.841002D+00  0.608555D+01  0.136606D+02
      4  -0.928959D+00 -0.460383D+01  0.571723D+00  0.609620D+01  0.109514D+02
      5  -0.464486D+01  0.292334D+01 -0.221709D+01 -0.355984D+00 -0.953604D+00
      6   0.348223D+01 -0.596159D+01 -0.758744D+01 -0.104139D+00  0.787377D+01
                51            52            53            54            55 
      1  -0.449767D+01  0.648589D+01 -0.951220D+00 -0.233201D+02  0.264556D+02
      2   0.486973D+01 -0.516193D+01  0.410951D+01  0.116754D+02 -0.178155D+02
      3  -0.372062D+00 -0.132396D+01 -0.315829D+01  0.116447D+02 -0.864014D+01
      4  -0.154928D+01 -0.166466D+00 -0.383541D+01 -0.179373D+01  0.203517D+02
      5  -0.158249D+00  0.366320D+01  0.150911D+01 -0.225628D+01  0.365104D+01
      6   0.898954D+01 -0.150127D+01  0.234924D+02 -0.220196D+01  0.220881D+01
                56            57            58            59            60 
      1   0.500098D+02 -0.541432D+00  0.591946D+01  0.209543D+02 -0.462931D+01
      2  -0.319616D+02 -0.103104D+01  0.150812D+01 -0.222591D+02  0.619937D+01
      3  -0.180482D+02  0.157248D+01 -0.742758D+01  0.130484D+01 -0.157005D+01
      4  -0.415165D+02  0.395302D+01  0.300473D+02  0.179653D+02  0.155041D+01
      5   0.524217D+01 -0.145737D+02 -0.348275D+01  0.670890D+00  0.575990D+01
      6  -0.217161D+01 -0.897167D+01 -0.755485D+00  0.649555D+01  0.841724D+01
                61            62            63            64            65 
      1   0.299976D+01 -0.177983D+01 -0.212772D+02 -0.920506D+00  0.285236D+01
      2  -0.161944D+01  0.708849D+01  0.823189D+01  0.403569D+01 -0.414318D+01
      3  -0.138031D+01 -0.530866D+01  0.130453D+02 -0.311518D+01  0.129082D+01
      4  -0.306202D+01 -0.389465D+01  0.154869D+02 -0.549969D+01  0.101775D+02
      5   0.187538D+01  0.180470D+02 -0.829768D+01  0.129148D+01 -0.179172D+01
      6   0.347120D+01  0.219733D+02 -0.489946D+01 -0.198136D+01  0.178731D+01
                66            67            68            69            70 
      1  -0.416574D+00  0.822582D+01 -0.333074D+02  0.498521D+01  0.220403D+00
      2   0.281058D+00 -0.111712D+02  0.400310D+02 -0.399690D+01  0.211335D+00
      3   0.135516D+00  0.294534D+01 -0.672363D+01 -0.988304D+00 -0.431738D+00
      4  -0.145028D+01  0.105702D+02 -0.190443D+02  0.252759D+01 -0.163304D+01
      5   0.149141D+01 -0.188436D+01  0.168440D+01 -0.219851D+01  0.225385D-01
      6  -0.105379D+01  0.327546D+01 -0.993020D+01  0.679605D+01 -0.161527D+01
                71            72            73            74            75 
      1   0.351810D+01 -0.387916D+01  0.105307D+02 -0.515413D+00  0.274261D+00
      2  -0.386555D+01  0.384181D+01  0.734486D+00  0.789146D+01 -0.588044D+00
      3   0.347443D+00  0.373527D-01 -0.112652D+02 -0.737604D+01  0.313782D+00
      4   0.286203D+01 -0.794939D+00  0.266597D+02  0.197412D+02  0.758500D-01
      5   0.106544D+00  0.617595D+00  0.260003D+01  0.346774D+00  0.445599D+01
      6   0.359229D+01 -0.191443D+01  0.189362D+01  0.873646D+00  0.234924D+01
                76            77            78            79            80 
      1  -0.365631D+01 -0.907143D+01 -0.497097D-01  0.211543D+01  0.773303D+00
      2   0.135381D+02  0.189459D+02 -0.107671D+00 -0.216101D+01 -0.109144D+01
      3  -0.988181D+01 -0.987446D+01  0.157381D+00  0.455792D-01  0.318139D+00
      4   0.262716D+02  0.262232D+02 -0.362246D+00 -0.125943D+01 -0.147372D+01
      5  -0.229647D+00 -0.561002D-01  0.328520D+01 -0.198947D+00  0.176383D+01
      6   0.782852D+00  0.133846D+01  0.406852D+01 -0.109113D+01  0.209210D+01
                81            82            83            84            85 
      1   0.427426D+00 -0.486738D+01  0.704850D+01 -0.131634D+01  0.305758D+01
      2   0.630212D+00  0.691960D+01 -0.964131D+01  0.124105D+01 -0.341192D+01
      3  -0.105764D+01 -0.205221D+01  0.259281D+01  0.752913D-01  0.354339D+00
      4   0.200235D+01 -0.271352D+01  0.117226D+02 -0.981364D+00  0.619351D+01
      5  -0.587923D+00 -0.371845D+00 -0.902176D-01  0.179564D+01 -0.217965D+00
      6  -0.684125D+00 -0.481936D+00  0.129163D+01 -0.123244D+01  0.255358D-01
                86            87            88            89            90 
      1  -0.553791D+02  0.544848D+01 -0.131993D+01  0.694664D+01 -0.256790D+01
      2   0.731768D+02 -0.604353D+01  0.120684D+01 -0.829886D+01  0.299683D+01
      3  -0.177977D+02  0.595045D+00  0.113088D+00  0.135221D+01 -0.428934D+00
      4  -0.908495D+01  0.576693D+00 -0.723677D+00  0.152186D+01 -0.154749D+01
      5  -0.188478D+01 -0.373399D+00  0.742072D+00 -0.125252D+01  0.423625D+00
      6  -0.470935D+01  0.773111D+01  0.229676D+00  0.333121D+01 -0.172793D+01
                91            92            93            94            95 
      1  -0.174520D+02 -0.563639D+01  0.119705D+02 -0.803808D+01  0.147999D+02
      2   0.272729D+02  0.635680D+01  0.154549D+01  0.121897D+02 -0.204396D+02
      3  -0.982088D+01 -0.720415D+00 -0.135160D+02 -0.415167D+01  0.563970D+01
      4  -0.421788D+00  0.134950D+01 -0.507209D+01 -0.313267D+01  0.398729D+02
      5  -0.214603D+01 -0.649276D+01 -0.271022D+02 -0.243309D+02 -0.440356D+01
      6  -0.673370D+01 -0.266302D+01 -0.132096D+01  0.369686D-01  0.971089D+01
                96            97            98            99           100 
      1  -0.132888D+02  0.758457D+01 -0.561888D+01 -0.269766D+02 -0.667088D+02
      2   0.156022D+02  0.297069D+01  0.535981D+01  0.202085D+02  0.371627D+02
      3  -0.231342D+01 -0.105553D+02  0.259074D+00  0.676810D+01  0.295460D+02
      4  -0.400702D+01 -0.117505D+02 -0.502532D+01 -0.392910D+01  0.288686D+02
      5  -0.660003D+01 -0.694737D+02 -0.707707D+01 -0.443894D+01 -0.382212D+02
      6  -0.103515D+01 -0.937500D+00 -0.136487D+01 -0.510155D+01  0.140088D+02
               101           102           103           104           105 
      1   0.197146D+02 -0.355392D+02  0.385472D+02  0.566555D+00 -0.588323D-01
      2  -0.105083D+02  0.264895D+01 -0.296577D+02 -0.719349D+01 -0.119088D+02
      3  -0.920630D+01  0.328902D+02 -0.888946D+01  0.662694D+01  0.119676D+02
      4  -0.104105D+01  0.466211D+01 -0.571006D+01 -0.419386D+02 -0.220253D+01
      5   0.938968D+01  0.199822D+02  0.270291D+02 -0.796704D+00  0.203805D+02
      6   0.119021D+00  0.895478D+00  0.151012D+00 -0.180329D+02 -0.752406D-01
               106           107           108           109           110 
      1  -0.610695D+01 -0.292883D+01  0.396867D+02 -0.110062D+03 -0.150810D+02
      2  -0.153492D+02 -0.530888D+01 -0.125491D+02  0.491701D+02  0.295473D+01
      3   0.214562D+02  0.823771D+01 -0.271376D+02  0.608918D+02  0.121262D+02
      4   0.649296D+01  0.236517D+01  0.153612D+02 -0.225669D+02 -0.183586D+02
      5   0.465191D+02  0.151176D+02  0.142490D+02  0.246090D+02  0.893855D+01
      6   0.491284D+01  0.201592D+01  0.122756D+02  0.689960D+01  0.191561D+01
               111           112           113           114           115 
      1   0.123462D+02 -0.291392D+02 -0.109367D+02  0.804689D+01 -0.349170D+02
      2  -0.633547D+01  0.828115D+01  0.113495D+02 -0.449794D+01  0.267356D+02
      3  -0.601072D+01  0.208581D+02 -0.412830D+00 -0.354895D+01  0.818147D+01
      4   0.618155D+01  0.326999D+01 -0.179408D+02  0.651959D+00  0.714774D+01
      5  -0.343947D+01  0.179545D+02  0.248523D+01 -0.266931D+01  0.360353D+02
      6  -0.313650D+01  0.229008D+01  0.127462D+01  0.107412D+01  0.438716D+00
               116           117           118           119           120 
      1   0.566626D+01  0.313392D+02 -0.678664D+01 -0.621196D+01 -0.494699D+00
      2  -0.227972D+01 -0.986434D+01  0.858389D+01  0.233431D+01  0.331117D+00
      3  -0.338654D+01 -0.214748D+02 -0.179726D+01  0.387765D+01  0.163582D+00
      4  -0.148676D+01  0.302693D+01 -0.895650D+01  0.778959D+01 -0.544992D+00
      5   0.399626D+01 -0.978910D+01  0.362938D+00 -0.103949D+01  0.726851D+01
      6  -0.438858D+01 -0.391865D+01 -0.240490D+01  0.880309D+00 -0.279991D+00
               121           122           123           124           125 
      1  -0.842874D+01 -0.181688D+02  0.573207D+01 -0.235356D+01  0.210406D+01
      2  -0.482119D+00  0.306605D+02 -0.466913D+01  0.176728D+01 -0.677963D+00
      3   0.891086D+01 -0.124917D+02 -0.106294D+01  0.586279D+00 -0.142609D+01
      4   0.170305D+02 -0.473543D+02  0.596716D+01 -0.395325D+00  0.487973D+01
      5  -0.144128D+01  0.564367D+01 -0.113345D+02  0.976798D+01 -0.594546D+01
      6   0.235240D+01 -0.109930D+02  0.628383D+01 -0.208619D+01  0.686909D+01
               126           127           128           129           130 
      1  -0.653337D+00  0.111227D+03 -0.138133D+02  0.219758D+02 -0.267459D+02
      2   0.388150D+00 -0.678537D+02  0.704100D+01 -0.185524D+02  0.157731D+02
      3   0.265187D+00 -0.433734D+02  0.677230D+01 -0.342345D+01  0.109728D+02
      4  -0.635091D+01 -0.215768D+02  0.156677D+02 -0.435373D+01  0.216439D+02
      5   0.492255D+01  0.653839D+02 -0.683818D+01  0.298244D+02 -0.192788D+02
      6  -0.223136D+01 -0.838422D+01  0.625040D+01 -0.200360D+01  0.790406D+01
               131           132           133           134           135 
      1   0.115724D+02 -0.419542D+01  0.993611D+01 -0.493532D+00  0.664158D+01
      2  -0.449589D+01  0.563074D+01 -0.931303D+01  0.170835D+01 -0.784402D+01
      3  -0.707648D+01 -0.143532D+01 -0.623080D+00 -0.121482D+01  0.120244D+01
      4  -0.544394D+01  0.537828D+01 -0.244449D+01  0.186717D+01 -0.469096D+01
      5   0.743379D+01 -0.113030D+02  0.184521D+02 -0.471784D+01  0.980787D+01
      6  -0.194918D+01  0.337424D+01 -0.252579D+01  0.151656D+01 -0.213661D+01
               136           137           138           139           140 
      1  -0.560049D+01 -0.474711D+01  0.244095D+02 -0.667202D+01 -0.712953D+01
      2  -0.127124D+01  0.134559D+01  0.213312D+01  0.453216D+01  0.128110D+01
      3   0.687173D+01  0.340152D+01 -0.265426D+02  0.213986D+01  0.584844D+01
      4  -0.363124D+01 -0.302477D+01  0.140336D+01  0.199873D+01 -0.410461D+00
      5   0.176763D+01 -0.819468D+00 -0.128173D+02 -0.495730D+01  0.569049D+01
      6  -0.242526D+01 -0.363722D+01  0.252950D+01  0.211426D+00 -0.266298D+01
               141           142           143           144           145 
      1   0.804938D+01  0.992551D+01  0.436532D+01 -0.418266D+02  0.971916D+01
      2   0.295084D+01 -0.294280D+01  0.161397D+01 -0.145006D+02 -0.301376D+01
      3  -0.110002D+02 -0.698271D+01 -0.597929D+01  0.563272D+02 -0.670540D+01
      4   0.762622D+01 -0.110817D+00  0.654449D+01 -0.756517D+01  0.634922D+01
      5  -0.117816D+02  0.518082D+01 -0.510891D+01  0.409188D+02  0.513602D+01
      6   0.935697D+01 -0.371133D+00  0.722761D+01 -0.751069D+01  0.192028D+01
               146           147           148           149           150 
      1   0.550200D+01  0.484474D+01  0.121380D+02 -0.440769D+01 -0.132478D+01
      2  -0.190534D+01 -0.755237D+00 -0.598531D+01  0.141643D+02 -0.284793D+01
      3  -0.359665D+01 -0.408951D+01 -0.615265D+01 -0.975665D+01  0.417272D+01
      4   0.748111D+01  0.627503D+00  0.156735D+02  0.524523D+02  0.935341D+01
      5   0.219141D+01 -0.419488D+00  0.121233D+02  0.958244D+01  0.139397D+02
      6   0.194311D+01  0.756274D-01  0.587071D+01  0.249402D+02  0.809769D+01
               151           152           153           154           155 
      1  -0.721793D+00 -0.162842D+01 -0.567758D+01  0.210188D+03  0.227267D+02
      2   0.114775D+01 -0.830883D+00  0.144862D+01 -0.101394D+03 -0.872868D+01
      3  -0.425956D+00  0.245930D+01  0.422896D+01 -0.108795D+03 -0.139980D+02
      4   0.319465D+00  0.609881D+00  0.438392D+01  0.231323D+02  0.360292D+02
      5  -0.381009D+00  0.444925D+01  0.106339D+01 -0.426234D+02 -0.539681D+01
      6   0.966544D+00  0.476067D+01  0.193440D+01 -0.501138D+01 -0.526580D+01
               156           157           158           159           160 
      1  -0.127933D+02  0.338689D+02  0.346389D+02 -0.303627D+01 -0.115915D+02
      2   0.112048D+02 -0.146458D+02 -0.134290D+02  0.275748D+01  0.104723D+02
      3   0.158848D+01 -0.192231D+02 -0.212099D+02  0.278791D+00  0.111919D+01
      4  -0.231054D+01  0.489831D+02  0.260228D+02 -0.451393D+01 -0.357845D+01
      5   0.388554D+02 -0.107698D+02 -0.913210D+01  0.100143D+02  0.368825D+02
      6  -0.200545D+00 -0.977521D+01 -0.501947D+01  0.510646D+01  0.244019D+01
               161           162           163           164           165 
      1  -0.201803D+01  0.201866D+02  0.632988D+02  0.515763D+01 -0.171814D+02
      2   0.159841D+01 -0.144238D+02 -0.446174D+02 -0.170044D+01  0.115464D+02
      3   0.419614D+00 -0.576286D+01 -0.186813D+02 -0.345719D+01  0.563497D+01
      4  -0.188346D+01  0.485327D+01 -0.225634D+01  0.796515D+01  0.435809D+01
      5   0.673368D+01 -0.768917D+01 -0.421566D+02  0.197541D+01  0.201638D+02
      6   0.428476D+01 -0.167018D+01  0.150371D+01 -0.186424D+01 -0.172060D+01
               166           167           168           169           170 
      1   0.164374D+02 -0.781075D+01 -0.389617D+01  0.904695D+01 -0.277018D+01
      2  -0.900937D+01  0.256058D+01  0.291378D+01 -0.232522D+01  0.242426D+00
      3  -0.742801D+01  0.525017D+01  0.982391D+00 -0.672173D+01  0.252776D+01
      4   0.396705D+01 -0.463123D+01 -0.119807D+02  0.577164D+01 -0.664055D+01
      5  -0.627650D+01 -0.115303D+02 -0.214859D+00  0.138921D+02 -0.758308D+01
      6  -0.136889D+01  0.436369D+01  0.119006D+02 -0.411596D+01  0.119386D+02
               171           172           173           174           175 
      1  -0.368349D+02 -0.552153D+02 -0.624859D+01 -0.683242D+01 -0.102071D+02
      2  -0.104590D+02  0.357068D+02  0.273232D+01 -0.557836D+01  0.644001D+01
      3   0.472939D+02  0.195085D+02  0.351627D+01  0.124108D+02  0.376714D+01
      4  -0.929173D+01  0.277950D+01 -0.507484D+01 -0.387325D+01  0.112423D+01
      5  -0.450129D+02  0.310345D+02 -0.229612D+01 -0.179258D+02  0.358931D+01
      6   0.104283D+02 -0.719164D+00  0.456545D+01  0.479227D+01  0.212308D+00
               176           177           178           179           180 
      1  -0.675848D+01 -0.257642D+01  0.121523D+02 -0.819343D+00 -0.112391D+02
      2   0.427699D+01  0.728958D+00 -0.144756D+02  0.289014D+00  0.603623D+01
      3   0.248148D+01  0.184746D+01  0.232329D+01  0.530330D+00  0.520284D+01
      4  -0.276000D+01 -0.383765D+01 -0.260926D+01  0.882319D+00  0.969025D+00
      5  -0.283323D+01 -0.272135D+01 -0.152657D+02  0.567064D+00  0.399640D+01
      6   0.294163D+01  0.433741D+01  0.387639D+01  0.102440D+01  0.208334D+00
               181           182           183           184           185 
      1  -0.510952D+01 -0.517112D+02  0.291314D+01  0.101558D+03  0.213305D+02
      2   0.380855D+01  0.370243D+02  0.270142D+00 -0.692894D+02 -0.196569D+02
      3   0.130097D+01  0.146869D+02 -0.318328D+01 -0.322685D+02 -0.167362D+01
      4  -0.109778D+02  0.482347D+02 -0.674380D+01  0.132235D+02 -0.346282D+02
      5  -0.635113D+01 -0.904782D+01  0.212371D+02  0.547767D+01  0.704018D+01
      6  -0.401094D+01 -0.280387D+01  0.126884D+02  0.637267D+01  0.283357D+01
               186           187           188           189           190 
      1   0.373137D+01 -0.152761D+02 -0.841362D+01  0.363210D+01  0.119460D+03
      2  -0.252874D+01  0.134284D+02  0.697831D+01 -0.901257D+01 -0.608033D+02
      3  -0.120262D+01  0.184780D+01  0.143531D+01  0.538048D+01 -0.586568D+02
      4   0.807641D+01 -0.183357D+01  0.111248D+02  0.179140D+02  0.525569D+01
      5   0.102218D+02  0.321105D+02  0.169019D+02 -0.267197D+01 -0.546763D+01
      6   0.330079D+01  0.165996D+02  0.865100D+01  0.319849D+01 -0.135703D+01
               191           192           193           194           195 
      1   0.256571D+02  0.310756D+01 -0.460884D+02 -0.164511D+02  0.165532D+01
      2  -0.133076D+02 -0.456892D+00  0.407364D+02  0.243559D+02 -0.386538D+01
      3  -0.123495D+02 -0.265067D+01  0.535200D+01 -0.790480D+01  0.221005D+01
      4   0.335674D+02 -0.196655D+01 -0.132185D+02  0.565637D+02 -0.768071D+01
      5  -0.168094D+01  0.573325D+01  0.604087D+01 -0.625798D+01 -0.131035D+01
      6  -0.267058D+01 -0.426935D+01 -0.662509D+01 -0.413290D+01 -0.510258D+01
               196           197           198           199           200 
      1   0.526923D+01  0.637223D+01  0.277248D+02 -0.118807D+03 -0.125979D+02
      2  -0.552034D+01 -0.541420D+01 -0.241450D+02  0.476714D+02  0.375819D+01
      3   0.251107D+00 -0.958034D+00 -0.357973D+01  0.711356D+02  0.883970D+01
      4   0.842452D+01 -0.339343D+01 -0.979516D+00 -0.154395D+02 -0.293850D+02
      5   0.574006D+02  0.374963D+01  0.472631D+01 -0.152168D+01  0.667787D+01
      6  -0.127474D+01  0.446321D+01  0.169436D+01  0.655247D+01 -0.321200D-01
               201           202           203           204           205 
      1  -0.536719D+01 -0.768707D+02 -0.503633D+01 -0.588906D+01 -0.180785D+00
      2   0.250302D+01  0.478004D+02 -0.121283D+02  0.588442D+01 -0.235197D+01
      3   0.286417D+01  0.290703D+02  0.171646D+02  0.464296D-02  0.253276D+01
      4   0.479180D+01  0.413894D-01 -0.195184D+02 -0.231347D+01  0.159493D+01
      5   0.303504D+01 -0.130163D+01 -0.316569D+01 -0.121942D+02  0.347329D+01
      6   0.390905D+00 -0.154681D+01  0.669359D+01  0.651604D+01 -0.340868D+01
               206           207           208           209           210 
      1   0.180156D+00 -0.208998D+02  0.660927D+01 -0.310271D+02  0.153959D+00
      2   0.430078D+01  0.303075D+01 -0.599710D+01  0.158819D+02 -0.206085D+01
      3  -0.448094D+01  0.178690D+02 -0.612170D+00  0.151452D+02  0.190690D+01
      4  -0.743195D+01 -0.241542D+02 -0.271958D+02  0.860263D+01  0.133810D+00
      5  -0.262619D+02  0.422778D+01  0.534771D+01  0.735040D+00  0.291857D+02
      6   0.166422D+02 -0.127843D+01  0.259283D+00  0.241725D+01  0.375900D+01
               211           212           213           214           215 
      1   0.143642D+02  0.163114D+02 -0.271198D+01 -0.188046D+01 -0.367990D+01
      2  -0.137495D+02 -0.553115D+01  0.216181D+01 -0.105190D+00  0.287766D+01
      3  -0.614720D+00 -0.107803D+02  0.550171D+00  0.198565D+01  0.802241D+00
      4   0.447888D+02 -0.179716D+02  0.515223D+01 -0.555221D+01  0.873075D+00
      5  -0.613946D+01  0.313013D+01  0.116015D+02  0.622544D+01 -0.609787D+01
      6   0.226768D+01 -0.251858D+00  0.817900D+01 -0.388430D+01  0.440184D+01
               216           217           218           219           220 
      1  -0.931519D+00 -0.364082D+02  0.564704D+02 -0.534634D+01  0.394847D+02
      2   0.186023D+01  0.216386D+02 -0.289593D+02  0.330326D+01 -0.151049D+02
      3  -0.928707D+00  0.147696D+02 -0.275111D+02  0.204308D+01 -0.243798D+02
      4  -0.715135D+01  0.561944D+02 -0.690890D+01  0.824922D+01 -0.479628D+02
      5   0.297648D+01 -0.649591D+01  0.849987D+01 -0.205192D+02  0.117355D+02
      6  -0.188148D+01  0.332839D+01 -0.234313D+00 -0.270556D+01 -0.383604D+01
               221           222           223           224           225 
      1  -0.197534D+02  0.155931D+02  0.642460D-02  0.134009D+02 -0.174098D+02
      2   0.116304D+02 -0.655826D+01 -0.151270D+01 -0.644479D+01  0.102191D+02
      3   0.812294D+01 -0.903484D+01  0.150627D+01 -0.695613D+01  0.719075D+01
      4  -0.213221D+02 -0.150430D+02  0.110945D+02 -0.958157D+01 -0.536944D+02
      5  -0.139389D+02 -0.810055D+02 -0.454132D+02 -0.551988D+02  0.156816D+02
      6  -0.422398D+01 -0.148957D+02 -0.138263D+02 -0.110660D+02 -0.151395D+01
               226           227           228           229           230 
      1  -0.374343D+01  0.130997D+02 -0.197964D+01  0.146607D+01 -0.532267D+02
      2   0.545607D+01 -0.118844D+02  0.144422D+01 -0.148347D-01  0.673994D+02
      3  -0.171263D+01 -0.121529D+01  0.535419D+00 -0.145123D+01 -0.141727D+02
      4   0.306781D+01  0.538335D+01 -0.184009D-01  0.426656D+01  0.276300D+02
      5  -0.663737D+00  0.178173D+00  0.134134D+01 -0.275361D+00 -0.550741D+01
      6  -0.102533D+01  0.206705D+01 -0.122005D+01 -0.381268D+00 -0.102974D+02
               231           232           233           234           235 
      1   0.594962D+01 -0.712940D+00  0.685925D+01 -0.238732D+01  0.497666D+02
      2  -0.575994D+01  0.331659D+00 -0.750213D+01  0.272027D+01 -0.185583D+02
      3  -0.189684D+00  0.381282D+00  0.642878D+00 -0.332950D+00 -0.312083D+02
      4  -0.328143D+01  0.153996D+00 -0.298524D+01 -0.107469D+01  0.376004D+02
      5   0.279367D+01  0.172616D+01 -0.345170D+00  0.874599D-01 -0.551792D+00
      6   0.783227D+01 -0.339485D+00  0.359013D+01 -0.167349D+01  0.177764D+00
               236           237           238           239           240 
      1   0.161736D+02  0.175579D+01  0.213597D+02  0.112807D+02 -0.303819D+00
      2  -0.157948D+01 -0.946065D+00  0.883482D+00  0.768083D+01  0.267897D+00
      3  -0.145942D+02 -0.809724D+00 -0.222431D+02 -0.189616D+02  0.359227D-01
      4   0.274543D+02 -0.100708D-01  0.410693D+02  0.390360D+02 -0.802249D+00
      5  -0.144242D+01  0.354858D+01 -0.336088D+01 -0.280024D+01  0.453406D+01
      6  -0.240992D+00  0.173693D+01 -0.147496D+01 -0.999622D+00  0.361755D+01
               241           242           243           244           245 
      1   0.222430D+01 -0.109788D+00 -0.108542D+01 -0.205122D+01 -0.533188D+01
      2  -0.216919D+01 -0.563515D+00  0.108579D+01  0.569206D+01 -0.184968D+01
      3  -0.551050D-01  0.673303D+00 -0.368622D-03 -0.364084D+01  0.718156D+01
      4  -0.158774D+01 -0.178977D+01  0.147640D+01 -0.162184D+02  0.184622D+02
      5  -0.213637D+01  0.961625D+00 -0.647146D+00  0.126577D+01 -0.193304D+01
      6  -0.113699D+01  0.112231D+01 -0.582585D+00 -0.108521D+01  0.141057D+01
               246           247           248           249           250 
      1   0.168516D+00 -0.101762D+01 -0.214951D+02  0.249222D+01 -0.264174D+00
      2   0.231470D+00 -0.968287D+01  0.384450D+02 -0.326579D+01  0.957238D+00
      3  -0.399986D+00  0.107005D+02 -0.169499D+02  0.773571D+00 -0.693064D+00
      4  -0.272563D+01  0.258832D+02 -0.544654D+02  0.644462D+01 -0.370326D+01
      5   0.273109D+01 -0.228365D+01  0.383797D+01 -0.558119D+01  0.203647D+01
      6  -0.147343D+01  0.205887D+01 -0.551109D+01  0.685487D+01 -0.220229D+01
               251           252           253           254           255 
      1   0.161536D+01 -0.168215D+01  0.209202D+02  0.491966D+01 -0.168556D+02
      2  -0.338695D+01  0.300397D+01 -0.112402D+02 -0.212323D+01  0.830478D+01
      3   0.177159D+01 -0.132182D+01 -0.968003D+01 -0.279643D+01  0.855079D+01
      4   0.706696D+01 -0.163163D+01  0.623027D+01  0.509827D+01 -0.770115D+01
      5  -0.334151D+00  0.971054D+00 -0.205187D+02 -0.743979D+01  0.896556D+01
      6   0.317676D+01 -0.168465D+01 -0.297225D+01 -0.987864D+00  0.293630D+00
               256           257           258           259           260 
      1   0.238168D+02  0.126668D+02 -0.117117D+02 -0.579342D+02 -0.118606D+02
      2  -0.121333D+02 -0.434541D+01  0.487630D+01  0.338557D+02  0.605705D+01
      3  -0.116834D+02 -0.832143D+01  0.683537D+01  0.240785D+02  0.580360D+01
      4   0.287547D+02  0.247291D+02 -0.186289D+02 -0.232038D+02 -0.213432D+02
      5  -0.215148D+02 -0.194176D+02  0.328365D+02  0.524146D+02  0.304995D+02
      6  -0.438566D+01 -0.468676D+01  0.794353D+01  0.876197D+01  0.754374D+01
               261           262           263           264           265 
      1   0.215228D+02  0.555590D+01  0.513722D+01  0.134868D+02  0.261623D+02
      2  -0.182748D+02 -0.336376D+01 -0.236497D+01 -0.616516D+01 -0.137818D+02
      3  -0.324801D+01 -0.219214D+01 -0.277225D+01 -0.732159D+01 -0.123806D+02
      4   0.289407D+02  0.477574D+01  0.330495D+01  0.350772D+01  0.332123D+02
      5  -0.655113D+02  0.134533D+02  0.317397D+01  0.221745D+01  0.230053D+02
      6  -0.835279D+01  0.238700D+01  0.170824D+00 -0.555706D+00  0.824325D+01
               266           267           268           269           270 
      1   0.958851D+01  0.631856D+01  0.384873D+02  0.441944D+01  0.113147D+02
      2  -0.197434D+01 -0.390318D+01 -0.231121D+02 -0.366216D+01 -0.144729D+02
      3  -0.761417D+01 -0.241538D+01 -0.153753D+02 -0.757282D+00  0.315816D+01
      4   0.390219D+02  0.296147D+02  0.206851D+02  0.276387D+02  0.336713D+02
      5   0.290971D+02  0.394068D+02  0.427210D+02  0.341125D+02  0.515081D+02
      6   0.106809D+02  0.115892D+02  0.102057D+02  0.108533D+02  0.121616D+02
               271           272           273           274           275 
      1   0.176109D+03 -0.407582D+02  0.147141D+02 -0.827314D+02  0.307540D+02
      2  -0.905562D+02  0.205799D+02 -0.853674D+01  0.412726D+02 -0.138210D+02
      3  -0.855525D+02  0.201782D+02 -0.617734D+01  0.414587D+02 -0.169329D+02
      4  -0.494765D+02  0.235208D+02 -0.454936D+01  0.418654D+02 -0.285825D+02
      5   0.183102D+02 -0.438601D+01  0.176390D+02 -0.877876D+01  0.514322D+01
      6  -0.193183D+01  0.982385D+00 -0.104480D+01  0.196081D+01 -0.126967D+01
               276           277           278           279 
      1  -0.719038D+01  0.186155D+02 -0.479292D+01  0.177766D+02
      2   0.409179D+01 -0.110488D+02  0.279704D+01 -0.104871D+02
      3   0.309859D+01 -0.756665D+01  0.199588D+01 -0.728952D+01
      4   0.538278D+01 -0.575462D+01  0.453696D+01 -0.192350D+01
      5  -0.726945D+01  0.264246D+02 -0.169121D+01  0.560905D+01
      6   0.245900D+01 -0.195151D+01  0.302270D+01 -0.615221D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:52:24 2021, MaxMem=  5368709120 cpu:           50307.4 elap:            6304.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19390 -19.19258 -19.13631 -10.31759 -10.26220
 Alpha  occ. eigenvalues --  -10.25169 -10.21826 -10.21186 -10.21183 -10.20825
 Alpha  occ. eigenvalues --  -10.20736 -10.20548 -10.20542 -10.20269 -10.20202
 Alpha  occ. eigenvalues --  -10.19431 -10.18371  -1.10970  -1.08756  -1.02975
 Alpha  occ. eigenvalues --   -0.89792  -0.85461  -0.80936  -0.79415  -0.75387
 Alpha  occ. eigenvalues --   -0.75225  -0.70770  -0.66741  -0.64934  -0.62414
 Alpha  occ. eigenvalues --   -0.61840  -0.60356  -0.55186  -0.54206  -0.53222
 Alpha  occ. eigenvalues --   -0.50647  -0.48621  -0.48517  -0.48275  -0.46392
 Alpha  occ. eigenvalues --   -0.46029  -0.44912  -0.43671  -0.43113  -0.42681
 Alpha  occ. eigenvalues --   -0.42004  -0.41401  -0.40612  -0.39909  -0.37589
 Alpha  occ. eigenvalues --   -0.37019  -0.36623  -0.36078  -0.35266  -0.34088
 Alpha  occ. eigenvalues --   -0.32694  -0.32271  -0.30249  -0.27787  -0.25458
 Alpha  occ. eigenvalues --   -0.22421
 Alpha virt. eigenvalues --   -0.06218  -0.02961  -0.01984  -0.01392  -0.01027
 Alpha virt. eigenvalues --   -0.00357   0.00169   0.00902   0.00996   0.01443
 Alpha virt. eigenvalues --    0.01824   0.02063   0.02751   0.03001   0.03601
 Alpha virt. eigenvalues --    0.04617   0.05055   0.05494   0.05761   0.06257
 Alpha virt. eigenvalues --    0.06509   0.06915   0.07312   0.07615   0.07923
 Alpha virt. eigenvalues --    0.08169   0.08267   0.08444   0.08857   0.09091
 Alpha virt. eigenvalues --    0.09191   0.09350   0.09899   0.10182   0.10568
 Alpha virt. eigenvalues --    0.10913   0.11245   0.11334   0.11599   0.11847
 Alpha virt. eigenvalues --    0.12265   0.12445   0.12743   0.13130   0.13399
 Alpha virt. eigenvalues --    0.13595   0.13700   0.14277   0.14544   0.15110
 Alpha virt. eigenvalues --    0.15359   0.15903   0.16142   0.16575   0.16963
 Alpha virt. eigenvalues --    0.17270   0.17433   0.18120   0.18582   0.18928
 Alpha virt. eigenvalues --    0.19234   0.19445   0.19904   0.20661   0.20877
 Alpha virt. eigenvalues --    0.21420   0.21500   0.21848   0.22277   0.22772
 Alpha virt. eigenvalues --    0.22908   0.23247   0.23516   0.23657   0.24063
 Alpha virt. eigenvalues --    0.24163   0.24598   0.24874   0.25065   0.25472
 Alpha virt. eigenvalues --    0.25797   0.25984   0.26107   0.26594   0.26924
 Alpha virt. eigenvalues --    0.27479   0.27852   0.27926   0.28370   0.28639
 Alpha virt. eigenvalues --    0.28767   0.29247   0.29789   0.29954   0.30281
 Alpha virt. eigenvalues --    0.30489   0.30855   0.31037   0.31550   0.31964
 Alpha virt. eigenvalues --    0.32335   0.32570   0.32949   0.33085   0.33720
 Alpha virt. eigenvalues --    0.34104   0.34574   0.34648   0.35481   0.35747
 Alpha virt. eigenvalues --    0.35911   0.36574   0.36908   0.37297   0.37705
 Alpha virt. eigenvalues --    0.38110   0.38613   0.39067   0.39387   0.39898
 Alpha virt. eigenvalues --    0.40388   0.40503   0.40742   0.40897   0.41695
 Alpha virt. eigenvalues --    0.42574   0.42956   0.43471   0.44441   0.44724
 Alpha virt. eigenvalues --    0.45086   0.45699   0.46091   0.46416   0.47092
 Alpha virt. eigenvalues --    0.47353   0.47722   0.48245   0.48662   0.49520
 Alpha virt. eigenvalues --    0.50159   0.50556   0.51318   0.51332   0.51443
 Alpha virt. eigenvalues --    0.52003   0.52061   0.52270   0.53233   0.54066
 Alpha virt. eigenvalues --    0.54586   0.54757   0.55284   0.55345   0.55965
 Alpha virt. eigenvalues --    0.56101   0.56522   0.56923   0.57305   0.57783
 Alpha virt. eigenvalues --    0.58422   0.58672   0.59165   0.59819   0.60146
 Alpha virt. eigenvalues --    0.60695   0.61186   0.61413   0.61669   0.62343
 Alpha virt. eigenvalues --    0.62674   0.63021   0.63569   0.63873   0.64170
 Alpha virt. eigenvalues --    0.64792   0.65247   0.65489   0.65907   0.66271
 Alpha virt. eigenvalues --    0.66459   0.66797   0.67375   0.67634   0.68284
 Alpha virt. eigenvalues --    0.68684   0.69123   0.69949   0.70146   0.70628
 Alpha virt. eigenvalues --    0.71027   0.71643   0.72659   0.72922   0.73507
 Alpha virt. eigenvalues --    0.73832   0.74256   0.74616   0.74901   0.75326
 Alpha virt. eigenvalues --    0.75845   0.76618   0.76861   0.77159   0.77646
 Alpha virt. eigenvalues --    0.78197   0.78686   0.79681   0.79870   0.80168
 Alpha virt. eigenvalues --    0.80540   0.81659   0.82403   0.83349   0.83416
 Alpha virt. eigenvalues --    0.84072   0.84456   0.84860   0.85554   0.85939
 Alpha virt. eigenvalues --    0.87235   0.88074   0.88659   0.90032   0.90646
 Alpha virt. eigenvalues --    0.91748   0.92479   0.93079   0.94053   0.94673
 Alpha virt. eigenvalues --    0.95613   0.96311   0.97750   0.98128   0.99220
 Alpha virt. eigenvalues --    0.99755   1.01280   1.02532   1.03482   1.03841
 Alpha virt. eigenvalues --    1.05062   1.05677   1.06651   1.07463   1.08036
 Alpha virt. eigenvalues --    1.09672   1.10341   1.10452   1.11490   1.12597
 Alpha virt. eigenvalues --    1.12930   1.13870   1.14256   1.15265   1.17451
 Alpha virt. eigenvalues --    1.17944   1.18440   1.20118   1.20992   1.21691
 Alpha virt. eigenvalues --    1.23203   1.24167   1.24735   1.26595   1.26935
 Alpha virt. eigenvalues --    1.28075   1.28297   1.29964   1.30582   1.31858
 Alpha virt. eigenvalues --    1.32178   1.32533   1.33543   1.35751   1.36195
 Alpha virt. eigenvalues --    1.37260   1.37425   1.37918   1.38227   1.39329
 Alpha virt. eigenvalues --    1.40802   1.41003   1.41703   1.43362   1.44891
 Alpha virt. eigenvalues --    1.45372   1.46208   1.46624   1.47419   1.47607
 Alpha virt. eigenvalues --    1.49090   1.50014   1.50266   1.51866   1.52264
 Alpha virt. eigenvalues --    1.52474   1.53222   1.53390   1.54267   1.55247
 Alpha virt. eigenvalues --    1.56682   1.57332   1.57580   1.58350   1.59094
 Alpha virt. eigenvalues --    1.59234   1.60084   1.61298   1.62420   1.62881
 Alpha virt. eigenvalues --    1.63803   1.63861   1.64129   1.65103   1.65278
 Alpha virt. eigenvalues --    1.66666   1.67015   1.68149   1.68673   1.69663
 Alpha virt. eigenvalues --    1.71406   1.71867   1.72595   1.72992   1.74020
 Alpha virt. eigenvalues --    1.74483   1.75123   1.76393   1.77262   1.78785
 Alpha virt. eigenvalues --    1.79391   1.80482   1.81889   1.82699   1.83428
 Alpha virt. eigenvalues --    1.84239   1.85228   1.86282   1.87681   1.88450
 Alpha virt. eigenvalues --    1.89740   1.90449   1.90686   1.91265   1.92679
 Alpha virt. eigenvalues --    1.93310   1.94406   1.94634   1.95192   1.95634
 Alpha virt. eigenvalues --    1.96495   1.97189   1.98079   1.98366   1.99664
 Alpha virt. eigenvalues --    2.00269   2.01161   2.01808   2.02432   2.03243
 Alpha virt. eigenvalues --    2.03584   2.03945   2.05396   2.07043   2.07313
 Alpha virt. eigenvalues --    2.09076   2.09611   2.09934   2.11916   2.12397
 Alpha virt. eigenvalues --    2.13278   2.13592   2.15679   2.16184   2.16804
 Alpha virt. eigenvalues --    2.18305   2.19440   2.21036   2.22334   2.22909
 Alpha virt. eigenvalues --    2.23371   2.25588   2.26322   2.27630   2.28202
 Alpha virt. eigenvalues --    2.29693   2.31966   2.33504   2.34190   2.34576
 Alpha virt. eigenvalues --    2.36270   2.36967   2.37882   2.39566   2.41145
 Alpha virt. eigenvalues --    2.42144   2.44542   2.48134   2.49786   2.51006
 Alpha virt. eigenvalues --    2.54006   2.54299   2.55408   2.57777   2.59272
 Alpha virt. eigenvalues --    2.59998   2.60482   2.63740   2.64545   2.68013
 Alpha virt. eigenvalues --    2.69111   2.71411   2.74218   2.75370   2.76106
 Alpha virt. eigenvalues --    2.77586   2.79730   2.83225   2.85462   2.87843
 Alpha virt. eigenvalues --    2.91560   2.92107   2.94388   2.95604   3.02884
 Alpha virt. eigenvalues --    3.10358   3.16236   3.19464   3.24374   3.32969
 Alpha virt. eigenvalues --    3.35985   3.37786   3.39985   3.40688   3.41363
 Alpha virt. eigenvalues --    3.42337   3.46338   3.46794   3.47073   3.50110
 Alpha virt. eigenvalues --    3.50444   3.53145   3.54658   3.58226   3.66431
 Alpha virt. eigenvalues --    3.75421   3.77172   3.81083   3.83430   3.93293
 Alpha virt. eigenvalues --    4.01887   4.40506   4.63328
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   49.462373 -15.162268 -13.705560   3.501390  -3.813759   4.715053
     2  C  -15.162268  48.142582   3.054849  -0.328964   7.305450 -11.777492
     3  C  -13.705560   3.054849  46.243064 -17.881676  -0.189842  -4.631109
     4  C    3.501390  -0.328964 -17.881676  33.020579  -8.543231   5.719887
     5  C   -3.813759   7.305450  -0.189842  -8.543231  38.402173 -23.490029
     6  C    4.715053 -11.777492  -4.631109   5.719887 -23.490029  43.765602
     7  C   -8.917585  -8.207937  -1.439493  -3.623731  -0.539877  -0.692994
     8  H    1.755805  -0.858824  -5.661747   1.493294   0.345594  -0.145827
     9  H   -0.013910  -0.898981   0.199636   0.934648  -4.806621   2.657909
    10  H   -0.798550   1.551264   0.083126  -1.128434   3.238996  -5.838894
    11  C    0.785310  -1.537192   0.737334  -7.414973  -2.768309   1.879562
    12  C    0.117350  -0.063410  -0.157724  -0.210632  -0.531670   0.095992
    13  C   -0.028274  -0.046320  -0.431516   0.412695  -0.628773   0.040865
    14  H   -0.102249   0.012956  -0.267547   1.430120  -0.104836  -0.062953
    15  H    0.031535   0.058758  -0.419731   1.403084   0.001517  -0.082718
    16  H   -0.028751  -0.020172   0.370235  -1.064983   0.097715   0.046503
    17  H    0.033349  -0.092625   0.121037  -0.397752  -0.276093   0.149592
    18  O    0.005375   0.014350  -0.020542   0.175766   0.076597  -0.006308
    19  O    0.044253   0.015057  -0.031990  -0.107737   0.009088  -0.011918
    20  H   -0.009957  -0.032655   0.002547   0.151666  -0.103247   0.052570
    21  C    3.427797 -11.349096  -2.931007   0.622635  -0.304457  -0.168757
    22  C  -10.796083   0.351612  -0.224629  -0.217301   0.474028  -0.669919
    23  C   -6.996849  -6.819404   0.616784  -1.718291   2.104651  -8.325974
    24  O    0.314865  -0.208407  -0.001197   0.024276  -0.058066  -0.042480
    25  C   -0.037682   0.095683  -0.033692   0.025064  -0.025970   0.051130
    26  H    2.430866  -0.594653  -0.177052   0.226559  -0.014231  -0.027192
    27  H   -0.564423   0.156959  -0.205283   0.006718   0.023535   0.034260
    28  H   -0.540496   1.777862  -0.146110   0.154629   0.049038   0.789634
    29  H    0.010307  -0.119764   0.000213   0.000141   0.000079   0.007023
    30  H    0.000327  -0.107101  -0.000584   0.000545   0.000213   0.005059
    31  H   -0.015086   0.193208  -0.001632   0.002192  -0.004245  -0.004654
               7          8          9         10         11         12
     1  C   -8.917585   1.755805  -0.013910  -0.798550   0.785310   0.117350
     2  C   -8.207937  -0.858824  -0.898981   1.551264  -1.537192  -0.063410
     3  C   -1.439493  -5.661747   0.199636   0.083126   0.737334  -0.157724
     4  C   -3.623731   1.493294   0.934648  -1.128434  -7.414973  -0.210632
     5  C   -0.539877   0.345594  -4.806621   3.238996  -2.768309  -0.531670
     6  C   -0.692994  -0.145827   2.657909  -5.838894   1.879562   0.095992
     7  C   51.279540   0.915392   0.095641  -0.314960  -0.049713   0.046792
     8  H    0.915392   4.487317  -0.062056   0.014913   0.271206   0.040938
     9  H    0.095641  -0.062056   4.444393  -0.439010   0.110059   0.105740
    10  H   -0.314960   0.014913  -0.439010   3.992797  -0.079392   0.014522
    11  C   -0.049713   0.271206   0.110059  -0.079392  16.815129   0.351316
    12  C    0.046792   0.040938   0.105740   0.014522   0.351316   4.770669
    13  C    0.018185  -0.004354   0.105708   0.002791  -1.368741  -0.122142
    14  H   -0.000565  -0.245076  -0.006347  -0.001041  -1.912432   0.104845
    15  H   -0.009144   0.005384   0.022752  -0.001751  -0.668810  -0.125365
    16  H   -0.022997   0.010858   0.019172  -0.001419   0.801674  -0.037082
    17  H    0.026984  -0.000281  -0.095293   0.008709   0.093860   0.421545
    18  O   -0.001050   0.005322  -0.002174   0.000331  -0.324654   0.051588
    19  O    0.001344   0.001710   0.008741  -0.000265   0.326423  -0.011898
    20  H    0.023406  -0.023721   0.008734  -0.003987  -0.155699  -0.000272
    21  C   -9.985590   0.139555  -0.031572   0.146122   0.181638   0.008159
    22  C    2.246444   0.019970   0.034793   0.186460  -0.002929   0.014897
    23  C  -11.047448  -0.010585  -0.228085   1.714350  -0.480380  -0.066524
    24  O   -0.195374  -0.000004   0.000189  -0.008563   0.001543  -0.000199
    25  C   -0.113632  -0.002249  -0.000485  -0.001072   0.001030   0.000179
    26  H   -5.008211  -0.336161   0.005177   0.001350   0.023433   0.003159
    27  H    1.140679   0.019258  -0.002708   0.003744  -0.006050  -0.000832
    28  H    0.247815  -0.001387  -0.003631  -0.250006   0.004055  -0.000119
    29  H    0.086000  -0.000734   0.000129  -0.001116   0.000223   0.000024
    30  H    0.083674  -0.000589   0.000134  -0.001211   0.000309   0.000039
    31  H   -0.062977  -0.000099  -0.000175   0.002181   0.000045   0.000011
              13         14         15         16         17         18
     1  C   -0.028274  -0.102249   0.031535  -0.028751   0.033349   0.005375
     2  C   -0.046320   0.012956   0.058758  -0.020172  -0.092625   0.014350
     3  C   -0.431516  -0.267547  -0.419731   0.370235   0.121037  -0.020542
     4  C    0.412695   1.430120   1.403084  -1.064983  -0.397752   0.175766
     5  C   -0.628773  -0.104836   0.001517   0.097715  -0.276093   0.076597
     6  C    0.040865  -0.062953  -0.082718   0.046503   0.149592  -0.006308
     7  C    0.018185  -0.000565  -0.009144  -0.022997   0.026984  -0.001050
     8  H   -0.004354  -0.245076   0.005384   0.010858  -0.000281   0.005322
     9  H    0.105708  -0.006347   0.022752   0.019172  -0.095293  -0.002174
    10  H    0.002791  -0.001041  -0.001751  -0.001419   0.008709   0.000331
    11  C   -1.368741  -1.912432  -0.668810   0.801674   0.093860  -0.324654
    12  C   -0.122142   0.104845  -0.125365  -0.037082   0.421545   0.051588
    13  C    7.581728   0.114117   0.002162  -0.111212  -0.026445   0.075218
    14  H    0.114117   2.590875  -0.028954  -0.112367   0.127258   0.040953
    15  H    0.002162  -0.028954   2.110227  -0.474691  -0.473049  -0.002983
    16  H   -0.111212  -0.112367  -0.474691   2.135619  -0.314341   0.020446
    17  H   -0.026445   0.127258  -0.473049  -0.314341   1.932791   0.030878
    18  O    0.075218   0.040953  -0.002983   0.020446   0.030878   8.491316
    19  O   -0.424037  -0.001878  -0.008314   0.009228   0.011885  -0.072536
    20  H    0.029876   0.024299  -0.000163  -0.001638  -0.000550   0.008343
    21  C   -0.006239   0.027951  -0.002344   0.000772   0.004149   0.000313
    22  C    0.010324  -0.002236   0.001524   0.001068  -0.002438  -0.000080
    23  C   -0.054110  -0.022503   0.003161  -0.001816  -0.030278   0.001098
    24  O   -0.000106   0.000034  -0.000020   0.000037   0.000008  -0.000000
    25  C    0.000045   0.000066  -0.000004   0.000071   0.000056   0.000001
    26  H    0.006741   0.018430   0.000599  -0.002305  -0.000134  -0.000204
    27  H   -0.001356   0.000027  -0.000050   0.000049   0.000023   0.000041
    28  H   -0.000331   0.000789   0.000333  -0.000449  -0.000692   0.000059
    29  H    0.000048   0.000001   0.000004  -0.000006  -0.000007  -0.000001
    30  H    0.000028  -0.000011   0.000003   0.000003  -0.000005  -0.000000
    31  H    0.000000   0.000014  -0.000002   0.000008   0.000011   0.000000
              19         20         21         22         23         24
     1  C    0.044253  -0.009957   3.427797 -10.796083  -6.996849   0.314865
     2  C    0.015057  -0.032655 -11.349096   0.351612  -6.819404  -0.208407
     3  C   -0.031990   0.002547  -2.931007  -0.224629   0.616784  -0.001197
     4  C   -0.107737   0.151666   0.622635  -0.217301  -1.718291   0.024276
     5  C    0.009088  -0.103247  -0.304457   0.474028   2.104651  -0.058066
     6  C   -0.011918   0.052570  -0.168757  -0.669919  -8.325974  -0.042480
     7  C    0.001344   0.023406  -9.985590   2.246444 -11.047448  -0.195374
     8  H    0.001710  -0.023721   0.139555   0.019970  -0.010585  -0.000004
     9  H    0.008741   0.008734  -0.031572   0.034793  -0.228085   0.000189
    10  H   -0.000265  -0.003987   0.146122   0.186460   1.714350  -0.008563
    11  C    0.326423  -0.155699   0.181638  -0.002929  -0.480380   0.001543
    12  C   -0.011898  -0.000272   0.008159   0.014897  -0.066524  -0.000199
    13  C   -0.424037   0.029876  -0.006239   0.010324  -0.054110  -0.000106
    14  H   -0.001878   0.024299   0.027951  -0.002236  -0.022503   0.000034
    15  H   -0.008314  -0.000163  -0.002344   0.001524   0.003161  -0.000020
    16  H    0.009228  -0.001638   0.000772   0.001068  -0.001816   0.000037
    17  H    0.011885  -0.000550   0.004149  -0.002438  -0.030278   0.000008
    18  O   -0.072536   0.008343   0.000313  -0.000080   0.001098  -0.000000
    19  O    8.510352   0.194582  -0.001233   0.003544  -0.010733  -0.000017
    20  H    0.194582   0.695260  -0.004762   0.004629  -0.013589  -0.000022
    21  C   -0.001233  -0.004762  29.188947  -4.760169   1.731692   1.090481
    22  C    0.003544   0.004629  -4.760169  24.537332  -5.472350  -1.529946
    23  C   -0.010733  -0.013589   1.731692  -5.472350  45.122449   0.221987
    24  O   -0.000017  -0.000022   1.090481  -1.529946   0.221987   9.486887
    25  C    0.000028   0.000094  -0.080245   0.138983  -0.188786   0.160384
    26  H    0.000247  -0.000122   2.411782  -0.564793   0.140718   0.006298
    27  H   -0.000041  -0.000315  -3.378566   1.112491   0.099005  -0.183517
    28  H    0.000177   0.000341  -0.360135   1.153710  -4.291406  -0.132499
    29  H    0.000002   0.000010   0.156557  -0.440170   0.204221   0.185602
    30  H    0.000004   0.000005   0.140905  -0.414253   0.198722   0.179303
    31  H    0.000002   0.000012  -0.320866   1.026597  -0.478031  -0.642037
              25         26         27         28         29         30
     1  C   -0.037682   2.430866  -0.564423  -0.540496   0.010307   0.000327
     2  C    0.095683  -0.594653   0.156959   1.777862  -0.119764  -0.107101
     3  C   -0.033692  -0.177052  -0.205283  -0.146110   0.000213  -0.000584
     4  C    0.025064   0.226559   0.006718   0.154629   0.000141   0.000545
     5  C   -0.025970  -0.014231   0.023535   0.049038   0.000079   0.000213
     6  C    0.051130  -0.027192   0.034260   0.789634   0.007023   0.005059
     7  C   -0.113632  -5.008211   1.140679   0.247815   0.086000   0.083674
     8  H   -0.002249  -0.336161   0.019258  -0.001387  -0.000734  -0.000589
     9  H   -0.000485   0.005177  -0.002708  -0.003631   0.000129   0.000134
    10  H   -0.001072   0.001350   0.003744  -0.250006  -0.001116  -0.001211
    11  C    0.001030   0.023433  -0.006050   0.004055   0.000223   0.000309
    12  C    0.000179   0.003159  -0.000832  -0.000119   0.000024   0.000039
    13  C    0.000045   0.006741  -0.001356  -0.000331   0.000048   0.000028
    14  H    0.000066   0.018430   0.000027   0.000789   0.000001  -0.000011
    15  H   -0.000004   0.000599  -0.000050   0.000333   0.000004   0.000003
    16  H    0.000071  -0.002305   0.000049  -0.000449  -0.000006   0.000003
    17  H    0.000056  -0.000134   0.000023  -0.000692  -0.000007  -0.000005
    18  O    0.000001  -0.000204   0.000041   0.000059  -0.000001  -0.000000
    19  O    0.000028   0.000247  -0.000041   0.000177   0.000002   0.000004
    20  H    0.000094  -0.000122  -0.000315   0.000341   0.000010   0.000005
    21  C   -0.080245   2.411782  -3.378566  -0.360135   0.156557   0.140905
    22  C    0.138983  -0.564793   1.112491   1.153710  -0.440170  -0.414253
    23  C   -0.188786   0.140718   0.099005  -4.291406   0.204221   0.198722
    24  O    0.160384   0.006298  -0.183517  -0.132499   0.185602   0.179303
    25  C    4.031258   0.020309  -0.056991   0.050845   0.322112   0.319656
    26  H    0.020309   3.943771  -0.404693   0.015386   0.007044   0.006807
    27  H   -0.056991  -0.404693   4.622411  -0.055391  -0.102912  -0.099836
    28  H    0.050845   0.015386  -0.055391   3.586858   0.015135   0.015831
    29  H    0.322112   0.007044  -0.102912   0.015135   1.659379  -0.143486
    30  H    0.319656   0.006807  -0.099836   0.015831  -0.143486   1.658862
    31  H   -0.017616  -0.002227   0.057982  -0.024116  -0.631124  -0.628731
              31
     1  C   -0.015086
     2  C    0.193208
     3  C   -0.001632
     4  C    0.002192
     5  C   -0.004245
     6  C   -0.004654
     7  C   -0.062977
     8  H   -0.000099
     9  H   -0.000175
    10  H    0.002181
    11  C    0.000045
    12  C    0.000011
    13  C    0.000000
    14  H    0.000014
    15  H   -0.000002
    16  H    0.000008
    17  H    0.000011
    18  O    0.000000
    19  O    0.000002
    20  H    0.000012
    21  C   -0.320866
    22  C    1.026597
    23  C   -0.478031
    24  O   -0.642037
    25  C   -0.017616
    26  H   -0.002227
    27  H    0.057982
    28  H   -0.024116
    29  H   -0.631124
    30  H   -0.628731
    31  H    3.175366
 Mulliken charges:
               1
     1  C    0.895529
     2  C    1.494675
     3  C    3.130837
     4  C   -0.668184
     5  C    0.074581
     6  C    1.968576
     7  C    0.021382
     8  H   -1.172822
     9  H   -1.162510
    10  H   -1.091986
    11  C    0.385124
    12  C    1.180103
    13  C    0.853424
    14  H   -0.621742
    15  H   -0.342949
    16  H   -0.319230
    17  H   -0.252152
    18  O   -0.567462
    19  O   -0.454067
    20  H    0.154323
    21  C    0.405583
    22  C   -0.221111
    23  C    0.098303
    24  O   -0.669441
    25  C    1.341430
    26  H   -1.136700
    27  H   -1.214217
    28  H   -1.055729
    29  H   -0.214934
    30  H   -0.214622
    31  H   -0.624011
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.895529
     2  C    1.494675
     3  C    1.958015
     4  C   -0.668184
     5  C   -1.087929
     6  C    0.876590
     7  C   -1.115317
    11  C   -0.236619
    12  C    0.265772
    13  C    0.853424
    18  O   -0.567462
    19  O   -0.299744
    21  C   -0.808634
    22  C   -0.221111
    23  C   -0.957426
    24  O   -0.669441
    25  C    0.287864
 Electronic spatial extent (au):  <R**2>=           5624.2593
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8267    Y=             -1.9488    Z=              1.8156  Tot=              6.4066
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -112.2066   YY=            -92.6140   ZZ=           -106.2750
   XY=              2.7170   XZ=             10.9030   YZ=             -0.5561
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.5081   YY=             11.0846   ZZ=             -2.5765
   XY=              2.7170   XZ=             10.9030   YZ=             -0.5561
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -265.2176  YYY=              1.5858  ZZZ=             -4.5301  XYY=              6.2681
  XXY=            -42.0480  XXZ=             44.0371  XZZ=             -7.0763  YZZ=             -1.4948
  YYZ=             -2.6348  XYZ=             -0.3248
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6489.4741 YYYY=           -612.2783 ZZZZ=           -499.5562 XXXY=             49.9333
 XXXZ=            236.4417 YYYX=             -9.2799 YYYZ=             -6.7686 ZZZX=              8.6583
 ZZZY=              1.8827 XXYY=          -1131.0031 XXZZ=          -1201.2968 YYZZ=           -201.6256
 XXYZ=              2.0607 YYXZ=             -6.8814 ZZXY=             -3.8728
 N-N= 1.131740499930D+03 E-N=-4.051489694073D+03  KE= 7.634258424387D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:52:24 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30124803D+00-7.69776061D-01 6.94496309D-01
 Polarizability= 2.85439360D+02 1.18831820D+01 1.55814840D+02
                 1.11858391D+01-3.58322302D+00 1.12258383D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -6.0989   -6.0989        8.1362    8.1357
 2      6.0989    6.0989        1.9136    1.9125      -77.6116  -77.6194
 3     -8.1362   -8.1357      102.2820  102.2825       -1.9085   -1.9125
 4     -1.9136   -1.9125        0.0000    0.0000       -8.1344   -8.1357
 5    -24.6703  -24.6631        8.1344    8.1357       -6.0981   -6.0989
 6      1.9085    1.9125        6.0981    6.0989        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       18.2967   18.2967       24.4071   24.4071
 2     -5.7375   -5.7375        0.0000    0.0000       24.4071   24.4071
 3     -5.7375   -5.7375       18.2967   18.2967        0.0000    0.0000
 4     18.2967   18.2967        5.7375    5.7375     -232.8581 -232.8581
 5    -24.4071  -24.4071      306.8474  306.8474       -5.7375   -5.7375
 6    -73.9892  -73.9892       24.4071   24.4071      -18.2967  -18.2967
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0415    0.0000       24.7772   24.3956      -32.5285  -32.5428
 2    -24.5204  -24.3956       -7.6719   -7.6500      310.4296  310.4775
 3     32.4029   32.5428     -409.2707 -409.1298        8.1549    7.6500
 4      7.5803    7.6500        0.1120    0.0000       32.5419   32.5428
 5     98.6362   98.6523      -32.3123  -32.5428       24.2261   24.3956
 6     -7.9015   -7.6500      -24.4575  -24.3956       -0.0921    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1203    0.0000       18.6187   18.6482       23.4858   23.8164
 2    -18.3326  -18.6482       90.3475   90.1295      -39.9739  -39.7119
 3    -23.9850  -23.8164        5.1114    4.8522      -90.0471  -90.1295
 4    -89.9762  -90.1295       -0.1583    0.0000      -23.7519  -23.8164
 5     35.4809   34.8597       23.7672   23.8164       19.2409   18.6482
 6     90.0631   90.1295      -18.4781  -18.6482       -0.0477    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -70.5700  -70.7535       -1.7511   -1.5535      -16.2940  -16.2757
 2   -220.2998 -220.5396       10.8382   11.0527      -15.9996  -16.2757
 3   -220.2572 -220.5396       -1.7420   -1.5535      -44.3516  -44.7277
 4    -12.4245  -12.6061      150.5091  149.7862      -36.9117  -37.0016
 5    -28.7002  -28.4520      -29.2666  -29.5274     -150.0222 -149.7862
 6     67.0925   66.5290       28.6454   28.4520       12.6045   12.6061
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4890   -1.7257   -0.0006    0.0008    0.0011    1.5985
 Low frequencies ---   27.6914   42.0774   50.3132
 Diagonal vibrational polarizability:
       50.8859867     104.3036288      49.6339502
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.6907                42.0773                50.3089
 Red. masses --      5.0562                 7.9050                 4.5123
 Frc consts  --      0.0023                 0.0082                 0.0067
 IR Inten    --      0.9793                 6.3711                 0.3352
 RamAct Fr= 1--      4.0642                 0.7113                 4.4621
  Dep-P Fr= 1--      0.7488                 0.6855                 0.7498
  Dep-U Fr= 1--      0.8564                 0.8134                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0000
 Beta2  Fr= 1--      0.5801                 0.0964                 0.6373
 AlphaG Fr= 1--      0.0030                 0.0161                -0.0005
 Gamma2 Fr= 1--      0.5892                -0.5911                 0.8509
 Delta2 Fr= 1--      0.2150                -0.2058                -0.1501
 Raman1 Fr= 1--      16.257                  2.845                 17.849
 ROA1   Fr= 1--      63.440                -63.329                 76.883
 CID1   Fr= 1--       3.902                -22.259                  4.308
 Raman2 Fr= 1--       6.961                  1.157                  7.648
 ROA2   Fr= 1--      12.420                -12.540                 21.623
 CID2   Fr= 1--       1.784                -10.837                  2.827
 Raman3 Fr= 1--      13.922                  2.314                 15.296
 ROA3   Fr= 1--      63.440                -63.329                 76.883
 CID3   Fr= 1--       4.557                -27.364                  5.026
 RC180  Fr= 1--       0.713                  0.627                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03     0.00  -0.02   0.05    -0.01  -0.00   0.15
     2   6    -0.00  -0.03  -0.11     0.03  -0.02   0.04     0.01  -0.01   0.04
     3   6    -0.03  -0.04  -0.04    -0.00  -0.04   0.05    -0.01  -0.02   0.14
     4   6    -0.01  -0.06  -0.10     0.01  -0.06   0.03     0.00  -0.03   0.03
     5   6     0.01  -0.06  -0.18     0.04  -0.05   0.03     0.02  -0.04  -0.04
     6   6     0.01  -0.05  -0.19     0.04  -0.03   0.03     0.02  -0.03  -0.03
     7   6    -0.04  -0.00   0.06    -0.01   0.00   0.05    -0.02   0.01   0.23
     8   1    -0.04  -0.04   0.01    -0.02  -0.04   0.06    -0.02  -0.01   0.18
     9   1     0.02  -0.08  -0.23     0.05  -0.07   0.02     0.03  -0.05  -0.10
    10   1     0.03  -0.05  -0.24     0.06  -0.03   0.03     0.03  -0.03  -0.10
    11   6    -0.02  -0.06  -0.04     0.02  -0.06  -0.01     0.01  -0.05  -0.05
    12   6    -0.13  -0.15   0.07     0.03  -0.12   0.01     0.04  -0.13  -0.02
    13   6     0.07   0.07   0.05    -0.06   0.07  -0.03    -0.03   0.05  -0.05
    14   1    -0.01  -0.06  -0.13     0.02  -0.07  -0.08     0.02  -0.05  -0.13
    15   1    -0.13  -0.12   0.12     0.04  -0.12  -0.03     0.05  -0.11  -0.09
    16   1    -0.19  -0.24  -0.00     0.05  -0.17   0.00     0.08  -0.23  -0.02
    17   1    -0.17  -0.14   0.16     0.03  -0.12   0.06     0.00  -0.13   0.07
    18   8     0.05   0.13   0.17    -0.21   0.50  -0.08    -0.00  -0.01  -0.05
    19   8     0.19   0.12  -0.02     0.02  -0.32   0.00    -0.08   0.23  -0.05
    20   1     0.18   0.06  -0.11     0.09  -0.58   0.03    -0.09   0.25  -0.04
    21   6    -0.04   0.01   0.09    -0.00   0.02   0.02    -0.01   0.01   0.16
    22   6    -0.02   0.01   0.02     0.02   0.02  -0.00     0.01   0.00   0.01
    23   6    -0.00  -0.01  -0.08     0.04   0.01   0.01     0.02  -0.01  -0.02
    24   8    -0.02   0.02   0.05     0.03   0.05  -0.04     0.02  -0.00  -0.10
    25   6    -0.04   0.05   0.19     0.02   0.06  -0.10     0.03  -0.01  -0.23
    26   1    -0.05  -0.00   0.11    -0.03  -0.00   0.06    -0.04   0.02   0.33
    27   1    -0.05   0.03   0.16    -0.02   0.04   0.02    -0.02   0.03   0.21
    28   1     0.01  -0.02  -0.13     0.06   0.01  -0.00     0.03  -0.02  -0.13
    29   1     0.02   0.13   0.24    -0.04   0.05  -0.11    -0.12   0.03  -0.22
    30   1    -0.11  -0.01   0.24     0.06   0.06  -0.10     0.16  -0.04  -0.19
    31   1    -0.03   0.06   0.21     0.04   0.07  -0.15     0.04  -0.02  -0.39
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5110               125.0859               140.0679
 Red. masses --      3.8431                 5.1217                 4.1363
 Frc consts  --      0.0126                 0.0472                 0.0478
 IR Inten    --      4.2755                 0.0288                 0.2876
 RamAct Fr= 1--      0.8978                 0.7185                 1.6717
  Dep-P Fr= 1--      0.7241                 0.6676                 0.5354
  Dep-U Fr= 1--      0.8399                 0.8006                 0.6974
 Alpha2 Fr= 1--      0.0004                 0.0011                 0.0069
 Beta2  Fr= 1--      0.1257                 0.0959                 0.1943
 AlphaG Fr= 1--     -0.0102                 0.0086                 0.0164
 Gamma2 Fr= 1--     -0.2485                -0.9084                 2.5650
 Delta2 Fr= 1--      0.1756                -0.1846                 1.0856
 Raman1 Fr= 1--       3.591                  2.874                  6.687
 ROA1   Fr= 1--     -18.239                -93.116                280.981
 CID1   Fr= 1--      -5.079                -32.400                 42.021
 Raman2 Fr= 1--       1.508                  1.151                  2.332
 ROA2   Fr= 1--      -7.370                -20.325                 52.876
 CID2   Fr= 1--      -4.887                -17.666                 22.678
 Raman3 Fr= 1--       3.016                  2.301                  4.663
 ROA3   Fr= 1--     -18.239                -93.116                280.981
 CID3   Fr= 1--      -6.047                -40.467                 60.256
 RC180  Fr= 1--       0.680                  0.601                  0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.02  -0.09  -0.08    -0.02  -0.10   0.06
     2   6     0.02  -0.02  -0.04     0.05  -0.09  -0.12    -0.01  -0.09   0.11
     3   6     0.01  -0.01   0.07     0.02  -0.09   0.03    -0.00  -0.11  -0.01
     4   6     0.01  -0.01   0.09     0.01  -0.08   0.08    -0.01  -0.10  -0.05
     5   6     0.01  -0.01   0.09     0.03  -0.10  -0.04    -0.02  -0.09   0.02
     6   6     0.02  -0.01   0.02     0.05  -0.10  -0.16    -0.02  -0.09   0.11
     7   6     0.01  -0.01  -0.01    -0.01  -0.06  -0.09    -0.06  -0.07   0.04
     8   1     0.00  -0.01   0.07     0.01  -0.09   0.08     0.01  -0.11  -0.04
     9   1     0.02  -0.01   0.12     0.04  -0.11  -0.06    -0.02  -0.09  -0.00
    10   1     0.03  -0.02  -0.00     0.06  -0.11  -0.24    -0.03  -0.08   0.16
    11   6     0.01  -0.02   0.04     0.03   0.00   0.10     0.03   0.03  -0.03
    12   6     0.07  -0.05   0.02     0.02   0.15   0.04    -0.06   0.24  -0.09
    13   6    -0.06   0.03  -0.00    -0.07   0.04   0.05     0.06   0.02  -0.03
    14   1     0.02  -0.02   0.01     0.12   0.01   0.16     0.15   0.04   0.06
    15   1     0.08  -0.04  -0.05     0.07   0.27  -0.00    -0.03   0.34  -0.00
    16   1     0.13  -0.09   0.04     0.11   0.13   0.08    -0.06   0.32  -0.07
    17   1     0.05  -0.05   0.06    -0.11   0.15  -0.02    -0.14   0.23  -0.23
    18   8    -0.06   0.02  -0.05    -0.07   0.04  -0.03     0.06   0.02   0.01
    19   8    -0.13   0.08   0.03    -0.18   0.12   0.09     0.10   0.03  -0.05
    20   1    -0.12   0.08   0.07    -0.16   0.10   0.16     0.09   0.02  -0.08
    21   6     0.02  -0.01  -0.08    -0.00  -0.02  -0.04    -0.05  -0.02   0.01
    22   6     0.03  -0.01  -0.13     0.03  -0.00   0.03    -0.01  -0.01  -0.00
    23   6     0.03  -0.02  -0.12     0.07  -0.05  -0.08     0.01  -0.05   0.10
    24   8     0.04  -0.01  -0.21     0.04   0.09   0.23     0.03   0.06  -0.14
    25   6    -0.01   0.04   0.26     0.01   0.12  -0.06    -0.06   0.18  -0.00
    26   1     0.00  -0.01   0.02    -0.04  -0.07  -0.11    -0.10  -0.08   0.02
    27   1     0.01  -0.01  -0.09    -0.03   0.01  -0.02    -0.08  -0.00  -0.04
    28   1     0.04  -0.02  -0.16     0.10  -0.04  -0.07     0.05  -0.04   0.12
    29   1     0.19   0.28   0.40    -0.06  -0.13  -0.21    -0.11   0.33   0.08
    30   1    -0.24  -0.16   0.41     0.03   0.34  -0.25    -0.16   0.05   0.10
    31   1    -0.01   0.06   0.32     0.04   0.19   0.05    -0.00   0.26  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.9601               207.1774               210.2077
 Red. masses --      3.0466                 1.6540                 1.5262
 Frc consts  --      0.0601                 0.0418                 0.0397
 IR Inten    --      1.1137                 1.1644                 0.7576
 RamAct Fr= 1--      0.3885                 3.7797                 4.4098
  Dep-P Fr= 1--      0.6507                 0.3602                 0.2207
  Dep-U Fr= 1--      0.7884                 0.5297                 0.3616
 Alpha2 Fr= 1--      0.0007                 0.0321                 0.0567
 Beta2  Fr= 1--      0.0510                 0.3337                 0.2657
 AlphaG Fr= 1--      0.0034                 0.0015                 0.0191
 Gamma2 Fr= 1--     -0.7733                -1.1211                -1.1157
 Delta2 Fr= 1--      0.0445                -0.5699                -0.2643
 Raman1 Fr= 1--       1.554                 15.119                 17.639
 ROA1   Fr= 1--     -72.809               -125.863               -115.561
 CID1   Fr= 1--     -46.853                 -8.325                 -6.551
 Raman2 Fr= 1--       0.613                  4.004                  3.189
 ROA2   Fr= 1--     -18.915                -22.347                -24.662
 CID2   Fr= 1--     -30.877                 -5.581                 -7.734
 Raman3 Fr= 1--       1.225                  8.008                  6.378
 ROA3   Fr= 1--     -72.809               -125.863               -115.561
 CID3   Fr= 1--     -59.428                -15.718                -18.119
 RC180  Fr= 1--       0.577                  0.059                 -0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.14    -0.01  -0.01   0.03     0.01   0.01  -0.01
     2   6     0.01  -0.02  -0.12    -0.02  -0.02  -0.02     0.02   0.01   0.02
     3   6     0.02  -0.02  -0.19    -0.00   0.01   0.07    -0.00  -0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.02   0.04    -0.00  -0.03  -0.03
     5   6    -0.02   0.02   0.19    -0.02   0.02   0.04     0.03  -0.02  -0.05
     6   6    -0.01   0.00   0.07    -0.03  -0.01   0.00     0.03   0.00  -0.01
     7   6    -0.01  -0.00   0.05    -0.02  -0.01   0.01     0.01   0.01  -0.01
     8   1     0.03  -0.03  -0.29     0.01   0.02   0.09    -0.01  -0.02  -0.04
     9   1    -0.04   0.05   0.41    -0.04   0.03   0.05     0.05  -0.04  -0.07
    10   1    -0.02   0.01   0.18    -0.04  -0.01  -0.01     0.05   0.00  -0.01
    11   6     0.00   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.04   0.01
    12   6     0.01   0.02  -0.00     0.12  -0.02  -0.05    -0.07   0.02   0.00
    13   6    -0.00   0.00   0.00     0.02   0.00  -0.01    -0.04  -0.01   0.01
    14   1     0.00   0.01   0.01    -0.02   0.00  -0.01    -0.03  -0.03   0.04
    15   1    -0.01  -0.05   0.04    -0.03  -0.42   0.13    -0.22  -0.34   0.34
    16   1    -0.02   0.09  -0.00    -0.09   0.37  -0.05    -0.39   0.45  -0.05
    17   1     0.10   0.01  -0.05     0.58  -0.04  -0.27     0.36  -0.00  -0.28
    18   8    -0.00   0.00   0.00     0.02   0.01   0.03    -0.05   0.01   0.02
    19   8    -0.00  -0.00   0.01     0.06   0.01  -0.03    -0.06   0.03   0.01
    20   1    -0.00   0.00   0.01     0.06  -0.00  -0.05    -0.05   0.02   0.02
    21   6    -0.02   0.02   0.21    -0.02  -0.02  -0.03     0.02   0.02   0.01
    22   6    -0.00  -0.00   0.02    -0.03  -0.02  -0.03     0.03   0.02   0.02
    23   6     0.01  -0.02  -0.14    -0.02  -0.03  -0.07     0.02   0.03   0.06
    24   8     0.00   0.01   0.01    -0.03   0.01   0.05     0.03  -0.01  -0.03
    25   6    -0.01   0.02  -0.02    -0.06   0.05  -0.01     0.06  -0.05   0.01
    26   1    -0.02   0.01   0.14    -0.02  -0.01   0.03     0.01   0.01  -0.03
    27   1    -0.04   0.04   0.44    -0.02  -0.03  -0.04     0.02   0.02   0.00
    28   1     0.02  -0.03  -0.21    -0.02  -0.03  -0.09     0.02   0.03   0.08
    29   1    -0.20   0.20   0.07     0.01  -0.12  -0.10     0.03   0.06   0.07
    30   1     0.15  -0.14   0.14    -0.17   0.19  -0.15     0.14  -0.14   0.10
    31   1     0.02  -0.00  -0.31    -0.05   0.11   0.19     0.05  -0.10  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    234.4759               243.9082               277.4463
 Red. masses --      2.1305                 2.0906                 2.7934
 Frc consts  --      0.0690                 0.0733                 0.1267
 IR Inten    --      2.4611                 3.9186                 1.6525
 RamAct Fr= 1--      2.0614                 1.7228                 3.5125
  Dep-P Fr= 1--      0.3022                 0.4148                 0.4459
  Dep-U Fr= 1--      0.4642                 0.5864                 0.6168
 Alpha2 Fr= 1--      0.0210                 0.0121                 0.0219
 Beta2  Fr= 1--      0.1595                 0.1684                 0.3611
 AlphaG Fr= 1--      0.0099                 0.0039                -0.0914
 Gamma2 Fr= 1--      1.6150                -0.2118                -0.6886
 Delta2 Fr= 1--      0.0875                -0.1431                -0.4839
 Raman1 Fr= 1--       8.245                  6.891                 14.050
 ROA1   Fr= 1--     157.837                -24.910                -81.596
 CID1   Fr= 1--      19.142                 -3.615                 -5.808
 Raman2 Fr= 1--       1.914                  2.020                  4.333
 ROA2   Fr= 1--      38.060                 -3.937                -12.656
 CID2   Fr= 1--      19.889                 -1.949                 -2.921
 Raman3 Fr= 1--       3.827                  4.041                  8.666
 ROA3   Fr= 1--     157.837                -24.910                -81.596
 CID3   Fr= 1--      41.241                 -6.165                 -9.415
 RC180  Fr= 1--      -0.072                  0.173                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.03   0.01  -0.02    -0.00   0.00   0.09
     2   6     0.01   0.02  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
     3   6    -0.04  -0.05   0.01    -0.03  -0.03   0.04    -0.01   0.02   0.15
     4   6    -0.01  -0.08   0.00     0.00  -0.06   0.05    -0.02   0.01   0.02
     5   6     0.02  -0.07   0.08     0.01  -0.06  -0.01    -0.01   0.02   0.07
     6   6     0.04  -0.01   0.06     0.02  -0.03  -0.03    -0.01   0.02   0.07
     7   6    -0.04   0.05   0.05    -0.05   0.03  -0.06     0.02  -0.02  -0.01
     8   1    -0.09  -0.06  -0.00    -0.08  -0.04   0.05    -0.00   0.02   0.20
     9   1     0.04  -0.09   0.13     0.02  -0.08  -0.03    -0.01   0.02   0.09
    10   1     0.09   0.00   0.10     0.07  -0.02  -0.07    -0.02   0.02   0.09
    11   6    -0.00  -0.05  -0.02     0.03  -0.04   0.03    -0.04   0.01  -0.06
    12   6    -0.05   0.07  -0.05     0.15   0.03  -0.06    -0.15   0.01  -0.01
    13   6    -0.00  -0.01  -0.02     0.02  -0.01   0.02    -0.01   0.00  -0.05
    14   1     0.05  -0.04   0.02     0.06  -0.03   0.06    -0.03   0.01  -0.07
    15   1    -0.02   0.19  -0.04     0.18   0.07  -0.20    -0.15   0.04   0.12
    16   1    -0.02   0.06  -0.03     0.29   0.05   0.02    -0.25  -0.01  -0.07
    17   1    -0.17   0.07  -0.11     0.11   0.03  -0.11    -0.18   0.01   0.00
    18   8    -0.01   0.01   0.02     0.01   0.02   0.04    -0.00  -0.02  -0.01
    19   8     0.03   0.02  -0.04     0.04   0.03   0.00     0.04  -0.01  -0.08
    20   1     0.03  -0.01  -0.07     0.05  -0.01  -0.02     0.03  -0.01  -0.13
    21   6    -0.02   0.07   0.01    -0.04   0.06  -0.04     0.03  -0.03  -0.11
    22   6     0.00   0.07  -0.05    -0.05   0.06   0.01     0.04  -0.02  -0.07
    23   6     0.02   0.06  -0.09    -0.03   0.05   0.02     0.04  -0.02  -0.15
    24   8    -0.03   0.01   0.01    -0.07   0.01   0.02     0.04   0.02   0.14
    25   6     0.08  -0.13   0.02    -0.00  -0.09   0.01     0.05   0.01   0.02
    26   1    -0.07   0.05   0.08    -0.08   0.02  -0.09     0.03  -0.01  -0.01
    27   1    -0.02   0.09   0.01    -0.04   0.06  -0.04     0.03  -0.02  -0.13
    28   1     0.05   0.06  -0.12    -0.00   0.06   0.04     0.03  -0.03  -0.18
    29   1     0.41  -0.44  -0.14    -0.21   0.21   0.18    -0.26   0.27   0.14
    30   1    -0.04   0.14  -0.24     0.29  -0.35   0.28     0.33  -0.20   0.24
    31   1    -0.03  -0.20   0.46    -0.02  -0.22  -0.44     0.09  -0.04  -0.45
                     13                     14                     15
                      A                      A                      A
 Frequencies --    307.9476               347.9204               397.1233
 Red. masses --      4.7716                 3.8274                 4.9523
 Frc consts  --      0.2666                 0.2730                 0.4602
 IR Inten    --      8.5124                 1.1363                 1.3002
 RamAct Fr= 1--      7.2123                 6.8774                 1.4144
  Dep-P Fr= 1--      0.2547                 0.2202                 0.6048
  Dep-U Fr= 1--      0.4060                 0.3609                 0.7538
 Alpha2 Fr= 1--      0.0844                 0.0885                 0.0038
 Beta2  Fr= 1--      0.4880                 0.4137                 0.1777
 AlphaG Fr= 1--      0.1282                -0.0603                -0.0376
 Gamma2 Fr= 1--      0.1831                -0.8127                 1.7675
 Delta2 Fr= 1--      0.2610                 0.0348                 0.6671
 Raman1 Fr= 1--      28.849                 27.509                  5.658
 ROA1   Fr= 1--      25.935                -76.905                191.027
 CID1   Fr= 1--       0.899                 -2.796                 33.764
 Raman2 Fr= 1--       5.856                  4.964                  2.132
 ROA2   Fr= 1--       2.307                -19.783                 37.084
 CID2   Fr= 1--       0.394                 -3.985                 17.391
 Raman3 Fr= 1--      11.712                  9.929                  4.265
 ROA3   Fr= 1--      25.935                -76.905                191.027
 CID3   Fr= 1--       2.214                 -7.746                 44.793
 RC180  Fr= 1--      -0.188                 -0.278                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.02    -0.04  -0.14  -0.01     0.01   0.02  -0.07
     2   6     0.02   0.01  -0.00    -0.02  -0.14  -0.00     0.02   0.01  -0.12
     3   6    -0.03   0.03  -0.02     0.00  -0.02   0.01    -0.02  -0.00   0.11
     4   6    -0.07   0.05   0.01    -0.06   0.08   0.02    -0.02  -0.01   0.24
     5   6    -0.02   0.06  -0.01    -0.12   0.06  -0.01     0.00  -0.01   0.22
     6   6    -0.01   0.05  -0.02    -0.13  -0.06  -0.04     0.05  -0.02  -0.23
     7   6     0.06  -0.04   0.00    -0.10  -0.08  -0.01     0.03   0.01  -0.08
     8   1     0.00   0.04  -0.02     0.12   0.00   0.00    -0.04  -0.02   0.06
     9   1    -0.00   0.04  -0.00    -0.16   0.10  -0.00     0.01  -0.02   0.34
    10   1    -0.05   0.04  -0.04    -0.26  -0.09  -0.08     0.11  -0.03  -0.44
    11   6    -0.15  -0.06  -0.02    -0.04   0.14  -0.01    -0.01   0.02   0.01
    12   6     0.07   0.02  -0.20     0.05  -0.04   0.04    -0.08   0.02   0.06
    13   6    -0.15  -0.08   0.03    -0.00   0.07  -0.01    -0.03   0.02  -0.08
    14   1    -0.22  -0.06   0.05    -0.05   0.13  -0.07     0.04   0.02  -0.02
    15   1     0.14   0.18  -0.50     0.01  -0.18  -0.04    -0.09   0.03   0.21
    16   1     0.37  -0.02  -0.03     0.05  -0.09   0.02    -0.21   0.01  -0.02
    17   1    -0.08   0.02  -0.25     0.18  -0.03   0.17    -0.10   0.02   0.08
    18   8    -0.18  -0.02   0.28     0.03  -0.03  -0.02    -0.02  -0.03  -0.05
    19   8     0.03   0.03  -0.09     0.02  -0.04  -0.00     0.10  -0.01  -0.17
    20   1     0.01  -0.04  -0.25     0.00   0.05  -0.01     0.07   0.02  -0.32
    21   6     0.05  -0.07   0.03    -0.07   0.05   0.00     0.01   0.00   0.06
    22   6     0.08  -0.06   0.03     0.02   0.08   0.02    -0.01   0.01   0.14
    23   6     0.04  -0.03   0.03     0.05  -0.01   0.04    -0.01   0.03   0.17
    24   8     0.12  -0.01  -0.01     0.06   0.14  -0.03     0.00  -0.04  -0.09
    25   6     0.09   0.06  -0.00     0.24  -0.05   0.02    -0.04   0.00  -0.02
    26   1     0.12  -0.02   0.00    -0.21  -0.11  -0.03     0.05   0.01  -0.13
    27   1     0.05  -0.06   0.04    -0.11   0.10  -0.01     0.02  -0.01   0.02
    28   1    -0.02  -0.04   0.04     0.15   0.02   0.06    -0.04   0.03   0.23
    29   1     0.09   0.04  -0.01     0.41  -0.05   0.03     0.01  -0.01  -0.02
    30   1     0.03   0.07  -0.02     0.37  -0.04   0.03    -0.13   0.02  -0.04
    31   1     0.11   0.11   0.04     0.10  -0.25   0.06    -0.02   0.05   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.6870               454.3575               486.0512
 Red. masses --      3.3696                 5.4598                 2.5766
 Frc consts  --      0.3464                 0.6641                 0.3586
 IR Inten    --      0.0777                 1.7628                14.2128
 RamAct Fr= 1--      1.3646                 0.8673                 0.0992
  Dep-P Fr= 1--      0.7410                 0.6785                 0.1184
  Dep-U Fr= 1--      0.8512                 0.8085                 0.2117
 Alpha2 Fr= 1--      0.0002                 0.0011                 0.0017
 Beta2  Fr= 1--      0.1936                 0.1169                 0.0035
 AlphaG Fr= 1--      0.0025                 0.0068                -0.0101
 Gamma2 Fr= 1--      0.3597                 0.6824                -0.0430
 Delta2 Fr= 1--      0.0179                 0.2594                -0.0560
 Raman1 Fr= 1--       5.458                  3.469                  0.397
 ROA1   Fr= 1--      35.109                 73.813                 -5.919
 CID1   Fr= 1--       6.432                 21.277                -14.911
 Raman2 Fr= 1--       2.323                  1.402                  0.042
 ROA2   Fr= 1--       8.490                 14.303                 -0.583
 CID2   Fr= 1--       3.655                 10.199                -13.876
 Raman3 Fr= 1--       4.646                  2.805                  0.084
 ROA3   Fr= 1--      35.109                 73.813                 -5.919
 CID3   Fr= 1--       7.556                 26.317                -70.429
 RC180  Fr= 1--       0.702                  0.617                 -0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09     0.15  -0.15   0.03    -0.01   0.02   0.21
     2   6     0.00  -0.00  -0.03     0.10  -0.17   0.04    -0.01   0.02   0.19
     3   6     0.01  -0.02  -0.18     0.21  -0.01  -0.00     0.01  -0.02  -0.12
     4   6     0.00  -0.00  -0.01     0.10   0.12  -0.01    -0.01  -0.00   0.03
     5   6    -0.01   0.01   0.12     0.09   0.10  -0.03    -0.00  -0.00   0.06
     6   6     0.01  -0.02  -0.15     0.03  -0.08   0.03     0.01  -0.01  -0.10
     7   6    -0.02   0.03   0.25     0.01  -0.00   0.02     0.01  -0.01  -0.10
     8   1     0.03  -0.04  -0.40     0.40   0.04   0.02     0.03  -0.06  -0.45
     9   1    -0.02   0.03   0.25     0.03   0.17  -0.05     0.01  -0.02  -0.03
    10   1     0.02  -0.03  -0.29    -0.12  -0.11   0.03     0.04  -0.05  -0.42
    11   6     0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.02  -0.01
    12   6     0.00   0.00  -0.01    -0.03   0.00   0.02    -0.00  -0.00  -0.01
    13   6     0.00   0.00   0.01    -0.10  -0.03  -0.02    -0.01   0.03   0.00
    14   1    -0.00  -0.00  -0.00    -0.08   0.04   0.01     0.02   0.02  -0.03
    15   1     0.01   0.00  -0.03    -0.03   0.02   0.06    -0.00  -0.01  -0.02
    16   1     0.02   0.00  -0.00    -0.08  -0.07  -0.03    -0.00  -0.00  -0.01
    17   1     0.01   0.00  -0.02    -0.06   0.01   0.08     0.01   0.00   0.00
    18   8     0.00   0.00   0.01    -0.11  -0.03   0.12     0.00  -0.01   0.01
    19   8    -0.01  -0.01   0.02    -0.02  -0.01  -0.10    -0.00  -0.02   0.01
    20   1    -0.02   0.03   0.04    -0.04  -0.02  -0.18    -0.03   0.11   0.01
    21   6     0.02  -0.02  -0.21     0.04   0.17  -0.02     0.00   0.01   0.05
    22   6     0.01  -0.01  -0.11    -0.07   0.14  -0.04    -0.00   0.01   0.07
    23   6    -0.01   0.01   0.09     0.10  -0.00   0.00     0.01  -0.01  -0.12
    24   8    -0.00   0.01   0.06    -0.18   0.00  -0.01     0.00  -0.01  -0.01
    25   6     0.00   0.00   0.01    -0.19  -0.08  -0.01    -0.01  -0.00  -0.00
    26   1    -0.04   0.05   0.49    -0.20  -0.05   0.02     0.04  -0.05  -0.45
    27   1     0.03  -0.04  -0.33     0.03   0.18  -0.01     0.01  -0.01  -0.12
    28   1    -0.03   0.03   0.31     0.35   0.06   0.02     0.05  -0.05  -0.48
    29   1    -0.07   0.04   0.03    -0.18  -0.07  -0.00    -0.01   0.01   0.00
    30   1     0.06  -0.03   0.05    -0.17  -0.07  -0.01    -0.02  -0.01   0.00
    31   1     0.01  -0.01  -0.09    -0.20  -0.09  -0.01    -0.00   0.01  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    494.3120               512.3411               538.5383
 Red. masses --      3.8581                 3.9004                 5.5708
 Frc consts  --      0.5554                 0.6032                 0.9519
 IR Inten    --      4.5427                22.6816                 3.4739
 RamAct Fr= 1--      2.1414                 4.2113                24.9545
  Dep-P Fr= 1--      0.6795                 0.2410                 0.3464
  Dep-U Fr= 1--      0.8092                 0.3885                 0.5146
 Alpha2 Fr= 1--      0.0027                 0.0512                 0.2216
 Beta2  Fr= 1--      0.2888                 0.2726                 2.1402
 AlphaG Fr= 1--      0.0430                -0.2533                 0.1705
 Gamma2 Fr= 1--     -2.7586                 1.2236                 2.5205
 Delta2 Fr= 1--     -0.4038                -0.2682                 0.3447
 Raman1 Fr= 1--       8.566                 16.845                 99.818
 ROA1   Fr= 1--    -277.751                108.881                253.002
 CID1   Fr= 1--     -32.427                  6.464                  2.535
 Raman2 Fr= 1--       3.466                  3.272                 25.682
 ROA2   Fr= 1--     -62.977                 31.511                 57.736
 CID2   Fr= 1--     -18.172                  9.631                  2.248
 Raman3 Fr= 1--       6.931                  6.544                 51.365
 ROA3   Fr= 1--    -277.751                108.881                253.002
 CID3   Fr= 1--     -40.073                 16.639                  4.926
 RC180  Fr= 1--       0.618                 -0.223                  0.029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.04     0.03  -0.01  -0.01    -0.11  -0.02  -0.01
     2   6     0.00   0.06   0.06     0.03  -0.00  -0.07     0.15   0.03  -0.00
     3   6    -0.04  -0.10  -0.07    -0.02  -0.09   0.08    -0.07   0.08  -0.00
     4   6    -0.06  -0.09   0.02    -0.06  -0.06  -0.04     0.00   0.05  -0.01
     5   6    -0.01  -0.12  -0.10    -0.05  -0.06   0.05     0.27   0.10   0.01
     6   6     0.02   0.02   0.08    -0.00  -0.00  -0.02     0.26   0.08   0.02
     7   6     0.02   0.03   0.04     0.05   0.01  -0.01    -0.22  -0.03  -0.01
     8   1    -0.12  -0.12  -0.09    -0.04  -0.08   0.14     0.02   0.09   0.01
     9   1     0.07  -0.21  -0.20    -0.01  -0.10   0.16     0.36   0.01   0.04
    10   1     0.11   0.04   0.11     0.02   0.01   0.05     0.24   0.08   0.03
    11   6    -0.02   0.19   0.07    -0.05   0.13  -0.15    -0.02   0.08  -0.05
    12   6     0.10   0.04   0.18    -0.05  -0.04  -0.17    -0.01   0.01  -0.03
    13   6    -0.13   0.12  -0.04    -0.00   0.19   0.01    -0.03   0.10  -0.01
    14   1     0.15   0.19   0.03     0.09   0.11  -0.35     0.05   0.08  -0.13
    15   1     0.04  -0.17   0.08    -0.07  -0.14  -0.25    -0.02  -0.05  -0.06
    16   1     0.09  -0.08   0.14    -0.03  -0.07  -0.17    -0.01  -0.03  -0.04
    17   1     0.28   0.05   0.41     0.06  -0.04  -0.08     0.05   0.01   0.05
    18   8    -0.07  -0.07   0.02     0.08  -0.02   0.09     0.01  -0.02   0.04
    19   8     0.06  -0.06  -0.14    -0.07  -0.11   0.14    -0.01  -0.06   0.02
    20   1    -0.05   0.27  -0.32    -0.17   0.46   0.29    -0.12   0.40   0.03
    21   6     0.04   0.00  -0.01     0.08   0.07   0.00    -0.26  -0.13  -0.01
    22   6     0.04  -0.01  -0.08     0.05   0.05   0.04    -0.04  -0.09   0.01
    23   6     0.01   0.04  -0.03     0.04   0.07   0.03     0.07  -0.14   0.03
    24   8     0.03  -0.05   0.04     0.01  -0.08  -0.01    -0.02   0.01  -0.00
    25   6    -0.02   0.01   0.00    -0.07  -0.01  -0.01     0.00  -0.04   0.00
    26   1     0.05   0.05   0.15     0.02   0.00  -0.02    -0.18  -0.03  -0.00
    27   1     0.02   0.02   0.08     0.05   0.10  -0.04    -0.28  -0.11  -0.01
    28   1    -0.03   0.04   0.02     0.09   0.09   0.06    -0.03  -0.16   0.03
    29   1    -0.10   0.00  -0.00    -0.14  -0.01  -0.01     0.04  -0.04   0.01
    30   1    -0.06   0.01  -0.00    -0.16  -0.01  -0.02     0.04  -0.03   0.01
    31   1     0.03   0.08  -0.02     0.00   0.11  -0.01    -0.03  -0.08   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    567.6145               584.9456               599.7614
 Red. masses --      2.8765                 1.4879                 2.7139
 Frc consts  --      0.5460                 0.3000                 0.5752
 IR Inten    --     11.2289                59.7496                 2.3228
 RamAct Fr= 1--      6.4758                 3.2168                 4.1130
  Dep-P Fr= 1--      0.3039                 0.4083                 0.5304
  Dep-U Fr= 1--      0.4661                 0.5798                 0.6932
 Alpha2 Fr= 1--      0.0657                 0.0231                 0.0175
 Beta2  Fr= 1--      0.5031                 0.3109                 0.4752
 AlphaG Fr= 1--     -0.2422                 0.2228                -0.0949
 Gamma2 Fr= 1--     -2.4050                 0.3659                -0.4888
 Delta2 Fr= 1--     -0.2864                -0.1862                -0.3673
 Raman1 Fr= 1--      25.903                 12.867                 16.452
 ROA1   Fr= 1--    -240.042                 29.168                -58.682
 CID1   Fr= 1--      -9.267                  2.267                 -3.567
 Raman2 Fr= 1--       6.037                  3.730                  5.702
 ROA2   Fr= 1--     -55.428                 10.272                 -8.793
 CID2   Fr= 1--      -9.182                  2.754                 -1.542
 Raman3 Fr= 1--      12.074                  7.461                 11.404
 ROA3   Fr= 1--    -240.042                 29.168                -58.682
 CID3   Fr= 1--     -19.882                  3.910                 -5.146
 RC180  Fr= 1--      -0.068                  0.160                  0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00    -0.03  -0.02  -0.02    -0.03   0.01   0.09
     2   6    -0.04   0.01  -0.02    -0.02  -0.02   0.02     0.00  -0.01  -0.15
     3   6     0.08  -0.01   0.02    -0.02   0.04  -0.00    -0.01   0.01   0.00
     4   6     0.08  -0.04   0.00     0.01   0.03   0.03     0.02  -0.02  -0.19
     5   6    -0.02  -0.05   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.01
     6   6    -0.02  -0.01   0.00    -0.02  -0.02   0.01    -0.00  -0.01  -0.00
     7   6     0.09   0.09  -0.00    -0.02  -0.05  -0.00    -0.02  -0.01   0.05
     8   1     0.02  -0.02   0.01     0.01   0.05  -0.04    -0.03   0.03   0.18
     9   1    -0.05  -0.02   0.02    -0.03   0.06  -0.06    -0.04   0.05   0.39
    10   1     0.04   0.01   0.03    -0.06  -0.04  -0.02    -0.03   0.03   0.36
    11   6     0.07  -0.02  -0.03     0.00  -0.08   0.04     0.02   0.01   0.03
    12   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.05   0.03   0.08
    13   6    -0.02   0.02  -0.02     0.02  -0.05   0.01    -0.01  -0.05   0.00
    14   1     0.11  -0.02  -0.08    -0.06  -0.08   0.05     0.01   0.02   0.12
    15   1     0.00   0.04   0.09     0.02   0.07   0.03     0.04  -0.01   0.04
    16   1    -0.08  -0.02  -0.06     0.02   0.06   0.04     0.07  -0.02   0.08
    17   1    -0.05   0.00  -0.01    -0.06  -0.01  -0.10     0.09   0.03   0.14
    18   8    -0.02   0.00   0.07    -0.01   0.04  -0.04    -0.04   0.01   0.01
    19   8    -0.03  -0.07  -0.02     0.04  -0.04  -0.00    -0.00   0.00  -0.03
    20   1    -0.20   0.68  -0.03    -0.19   0.91  -0.09    -0.05   0.18  -0.08
    21   6     0.01  -0.07   0.01     0.01   0.03   0.00    -0.00  -0.00  -0.06
    22   6    -0.12  -0.06   0.00     0.04   0.02  -0.03    -0.00   0.03   0.23
    23   6    -0.09  -0.11   0.01     0.01   0.05  -0.00    -0.00   0.02  -0.02
    24   8    -0.08   0.17  -0.03     0.03  -0.05   0.01     0.02  -0.03  -0.04
    25   6     0.07   0.02   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.01
    26   1     0.15   0.10   0.00    -0.05  -0.05   0.04     0.00  -0.04  -0.24
    27   1     0.16  -0.22   0.03    -0.05   0.09   0.06     0.02  -0.03  -0.54
    28   1    -0.15  -0.12   0.01     0.03   0.06   0.03     0.01  -0.01  -0.26
    29   1     0.23   0.02   0.01    -0.06  -0.00  -0.00    -0.00   0.02   0.00
    30   1     0.23   0.02   0.02    -0.06   0.00  -0.01    -0.04  -0.02   0.00
    31   1    -0.08  -0.20   0.02     0.03   0.07  -0.00     0.02   0.03  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    637.1476               684.8831               697.1971
 Red. masses --      5.1669                 4.3300                 4.3846
 Frc consts  --      1.2358                 1.1967                 1.2557
 IR Inten    --      0.5487                 6.6427                 5.4172
 RamAct Fr= 1--      1.2837                 2.3780                 0.3545
  Dep-P Fr= 1--      0.7461                 0.1625                 0.0967
  Dep-U Fr= 1--      0.8546                 0.2796                 0.1763
 Alpha2 Fr= 1--      0.0001                 0.0356                 0.0063
 Beta2  Fr= 1--      0.1828                 0.1108                 0.0104
 AlphaG Fr= 1--     -0.0031                 0.0676                -0.0551
 Gamma2 Fr= 1--      1.4411                -0.6422                 0.0653
 Delta2 Fr= 1--      0.0253                -0.1988                -0.0317
 Raman1 Fr= 1--       5.135                  9.512                  1.418
 ROA1   Fr= 1--     139.156                -68.013                  5.253
 CID1   Fr= 1--      27.100                 -7.150                  3.705
 Raman2 Fr= 1--       2.194                  1.330                  0.125
 ROA2   Fr= 1--      34.384                -13.822                  1.820
 CID2   Fr= 1--      15.671                -10.394                 14.556
 Raman3 Fr= 1--       4.388                  2.660                  0.250
 ROA3   Fr= 1--     139.156                -68.013                  5.253
 CID3   Fr= 1--      31.711                -25.572                 21.008
 RC180  Fr= 1--       0.709                 -0.441                 -0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01  -0.02    -0.02  -0.01  -0.10     0.05  -0.01  -0.10
     2   6    -0.15  -0.00   0.00    -0.05  -0.02  -0.04     0.05   0.01  -0.01
     3   6    -0.02   0.18  -0.01    -0.03   0.10  -0.08     0.06  -0.10  -0.03
     4   6     0.16   0.02   0.01     0.00   0.05   0.21    -0.00  -0.00   0.21
     5   6     0.07  -0.04   0.03     0.10  -0.03  -0.08    -0.11   0.03  -0.07
     6   6    -0.00  -0.20   0.01     0.05  -0.13   0.13    -0.09   0.16   0.06
     7   6    -0.05  -0.11  -0.01     0.06  -0.09   0.14    -0.11   0.15   0.07
     8   1    -0.06   0.17  -0.03    -0.02   0.09  -0.19     0.07  -0.12  -0.17
     9   1    -0.08   0.12  -0.05     0.08  -0.01  -0.40    -0.07  -0.03  -0.42
    10   1     0.05  -0.20  -0.05     0.07  -0.13   0.08    -0.12   0.14  -0.07
    11   6     0.20   0.03  -0.11    -0.07  -0.01   0.02     0.11  -0.05  -0.03
    12   6     0.03   0.02   0.03    -0.05  -0.03  -0.07     0.01  -0.01  -0.00
    13   6     0.00   0.03  -0.11    -0.06   0.14   0.04     0.07  -0.05  -0.08
    14   1     0.27   0.02  -0.15    -0.02  -0.03  -0.14     0.09  -0.05  -0.04
    15   1     0.04   0.10   0.32    -0.04  -0.00  -0.11     0.03   0.12   0.23
    16   1    -0.22  -0.10  -0.16     0.00   0.07  -0.01    -0.15  -0.01  -0.10
    17   1    -0.09   0.03   0.13    -0.07  -0.04  -0.19    -0.14  -0.01  -0.04
    18   8     0.01  -0.01   0.20    -0.00  -0.05  -0.07     0.05   0.03   0.09
    19   8    -0.15  -0.04  -0.08     0.08  -0.00   0.05    -0.09  -0.02  -0.06
    20   1    -0.06  -0.28   0.16     0.08  -0.10  -0.07    -0.06   0.02   0.15
    21   6    -0.01  -0.01   0.02     0.09  -0.04  -0.09    -0.11   0.04  -0.09
    22   6     0.05   0.01  -0.04    -0.03   0.03   0.20     0.01  -0.00   0.16
    23   6    -0.11   0.16  -0.02    -0.05   0.05  -0.07     0.07  -0.07  -0.04
    24   8     0.07  -0.07   0.02    -0.04   0.06  -0.04     0.07  -0.10  -0.00
    25   6     0.05   0.03   0.00    -0.00   0.01  -0.00     0.01  -0.00  -0.00
    26   1    -0.05  -0.11   0.03     0.10  -0.08   0.11    -0.16   0.14   0.09
    27   1    -0.11   0.10   0.09     0.12  -0.08  -0.43    -0.10   0.02  -0.32
    28   1    -0.17   0.15   0.04    -0.03   0.02  -0.33     0.09  -0.09  -0.23
    29   1    -0.02   0.02  -0.00     0.07   0.02   0.01    -0.07   0.01  -0.00
    30   1    -0.02   0.03  -0.01     0.04  -0.01   0.01    -0.09  -0.01  -0.01
    31   1     0.10   0.11  -0.00    -0.05  -0.07  -0.01     0.10   0.12  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    747.9426               778.9933               790.5484
 Red. masses --      5.9249                 2.7797                 3.5418
 Frc consts  --      1.9528                 0.9938                 1.3042
 IR Inten    --      9.0611                 1.8277                 1.2680
 RamAct Fr= 1--     44.3599                 6.6226                26.5026
  Dep-P Fr= 1--      0.0884                 0.1148                 0.0967
  Dep-U Fr= 1--      0.1625                 0.2060                 0.1764
 Alpha2 Fr= 1--      0.7989                 0.1118                 0.4678
 Beta2  Fr= 1--      1.2014                 0.2273                 0.7790
 AlphaG Fr= 1--     -0.4666                -0.0484                 0.5348
 Gamma2 Fr= 1--     -3.0434                 1.0368                 2.5615
 Delta2 Fr= 1--      0.2467                 0.9066                 0.1165
 Raman1 Fr= 1--     177.440                 26.490                106.010
 ROA1   Fr= 1--    -284.273                128.542                249.628
 CID1   Fr= 1--      -1.602                  4.852                  2.355
 Raman2 Fr= 1--      14.417                  2.728                  9.348
 ROA2   Fr= 1--     -75.016                 17.630                 60.543
 CID2   Fr= 1--      -5.203                  6.463                  6.477
 Raman3 Fr= 1--      28.834                  5.456                 18.696
 ROA3   Fr= 1--    -284.273                128.542                249.628
 CID3   Fr= 1--      -9.859                 23.560                 13.352
 RC180  Fr= 1--      -0.675                 -0.588                 -0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09   0.05     0.02   0.01  -0.19     0.01  -0.08  -0.07
     2   6    -0.04  -0.07  -0.02    -0.02  -0.01   0.20    -0.02   0.09   0.10
     3   6     0.11   0.08  -0.01    -0.02   0.03   0.05     0.08  -0.07   0.03
     4   6     0.13   0.01  -0.03     0.00   0.00  -0.11     0.06  -0.04  -0.08
     5   6    -0.01  -0.04  -0.01     0.01  -0.02   0.10    -0.04   0.06   0.03
     6   6    -0.05  -0.18  -0.00     0.02  -0.09  -0.04    -0.03   0.19  -0.08
     7   6    -0.10   0.31  -0.06    -0.00   0.08   0.02    -0.02  -0.15   0.02
     8   1     0.09   0.08   0.03    -0.05   0.06   0.32     0.11  -0.04   0.25
     9   1    -0.18   0.14   0.12    -0.00  -0.01   0.01    -0.02   0.05   0.17
    10   1    -0.07  -0.17   0.14     0.05  -0.13  -0.31     0.00   0.20  -0.05
    11   6     0.02  -0.04   0.02    -0.04   0.07  -0.01     0.12  -0.12  -0.00
    12   6    -0.02  -0.03  -0.05    -0.01   0.01  -0.01     0.04  -0.02   0.01
    13   6    -0.16   0.17   0.11     0.03  -0.08   0.00    -0.11   0.16   0.05
    14   1     0.09  -0.06  -0.20    -0.09   0.08   0.11     0.23  -0.14  -0.26
    15   1     0.00   0.06  -0.02    -0.05  -0.12  -0.12     0.10   0.21   0.23
    16   1    -0.02   0.08  -0.01     0.03  -0.08  -0.01    -0.06   0.12   0.00
    17   1    -0.09  -0.04  -0.21     0.11   0.02   0.15    -0.17  -0.03  -0.23
    18   8    -0.10  -0.09  -0.09    -0.01   0.02  -0.00    -0.06  -0.07  -0.02
    19   8     0.13   0.01   0.10    -0.00   0.01   0.01     0.06  -0.01   0.04
    20   1     0.09  -0.09  -0.27    -0.02   0.07   0.01     0.04  -0.10  -0.16
    21   6    -0.15   0.08   0.01     0.00   0.00  -0.11    -0.02  -0.04  -0.05
    22   6    -0.01  -0.04  -0.03    -0.02   0.00   0.10     0.01   0.01   0.03
    23   6    -0.02  -0.09   0.02     0.00  -0.03  -0.01    -0.04   0.09  -0.01
    24   8     0.12  -0.15   0.03     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    25   6     0.08   0.03   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.15   0.30  -0.14    -0.02   0.13   0.44    -0.10  -0.15   0.23
    27   1    -0.07   0.01   0.01     0.01   0.00   0.22    -0.12   0.07   0.15
    28   1    -0.03  -0.09   0.09     0.06  -0.08  -0.50    -0.09   0.04  -0.32
    29   1    -0.07   0.03  -0.00     0.00   0.01  -0.00     0.02  -0.00   0.00
    30   1    -0.06   0.03  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    31   1     0.20   0.22  -0.01     0.02   0.03   0.01    -0.02  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    811.4904               819.7663               833.3944
 Red. masses --      3.1406                 1.5203                 1.6920
 Frc consts  --      1.2185                 0.6020                 0.6924
 IR Inten    --      7.5452                20.1261                 1.4816
 RamAct Fr= 1--      6.5182                 0.8118                 1.8266
  Dep-P Fr= 1--      0.3453                 0.4270                 0.1693
  Dep-U Fr= 1--      0.5134                 0.5984                 0.2896
 Alpha2 Fr= 1--      0.0581                 0.0054                 0.0269
 Beta2  Fr= 1--      0.5577                 0.0810                 0.0881
 AlphaG Fr= 1--     -0.1630                 0.0001                -0.0102
 Gamma2 Fr= 1--     -0.2783                -0.8425                -0.0717
 Delta2 Fr= 1--     -0.2583                 0.0261                -0.1849
 Raman1 Fr= 1--      26.073                  3.247                  7.306
 ROA1   Fr= 1--     -34.981                -80.043                -12.803
 CID1   Fr= 1--      -1.342                -24.651                 -1.752
 Raman2 Fr= 1--       6.692                  0.972                  1.058
 ROA2   Fr= 1--      -4.613                -20.428                 -0.242
 CID2   Fr= 1--      -0.689                -21.025                 -0.229
 Raman3 Fr= 1--      13.385                  1.943                  2.116
 ROA3   Fr= 1--     -34.981                -80.043                -12.803
 CID3   Fr= 1--      -2.614                -41.192                 -6.052
 RC180  Fr= 1--       0.027                  0.197                 -0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.03    -0.01   0.01   0.11     0.02  -0.02  -0.03
     2   6     0.05  -0.07   0.07     0.01  -0.01  -0.05    -0.03   0.03   0.06
     3   6    -0.13   0.09  -0.04    -0.01   0.01   0.01     0.05  -0.03  -0.01
     4   6    -0.05  -0.01  -0.02    -0.00   0.00   0.03     0.00   0.02   0.11
     5   6    -0.02   0.03  -0.03     0.00  -0.01  -0.05     0.02  -0.02  -0.09
     6   6    -0.03  -0.05  -0.06    -0.00  -0.00   0.00     0.02  -0.01  -0.10
     7   6     0.04   0.05   0.00     0.01  -0.01  -0.10    -0.01  -0.00   0.02
     8   1    -0.24   0.09   0.15     0.02  -0.04  -0.37     0.09  -0.02   0.05
     9   1    -0.08   0.10   0.30    -0.01   0.01   0.12    -0.02   0.04   0.54
    10   1    -0.19  -0.05   0.25    -0.02   0.02   0.22     0.00   0.08   0.64
    11   6    -0.03  -0.14   0.07     0.00   0.00  -0.00    -0.03   0.04   0.01
    12   6     0.03  -0.01   0.09     0.00   0.00   0.00    -0.03  -0.01  -0.04
    13   6     0.01   0.18  -0.07     0.00  -0.01   0.00     0.03  -0.04  -0.01
    14   1     0.03  -0.16  -0.17    -0.00   0.00   0.01    -0.06   0.04   0.08
    15   1     0.10   0.18   0.07    -0.00  -0.00   0.00    -0.05  -0.06  -0.07
    16   1     0.16   0.26   0.25    -0.00  -0.01  -0.01    -0.03  -0.05  -0.05
    17   1    -0.09  -0.02  -0.27     0.00   0.00   0.01     0.02  -0.01   0.04
    18   8     0.09  -0.01   0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    19   8    -0.06  -0.05  -0.08    -0.00   0.00   0.00    -0.01   0.00  -0.01
    20   1    -0.02  -0.10   0.11     0.00  -0.01  -0.00    -0.00   0.01   0.03
    21   6     0.05   0.02  -0.01     0.01  -0.01  -0.10    -0.02  -0.00   0.02
    22   6     0.02   0.01  -0.02    -0.01   0.01   0.08    -0.01  -0.01  -0.06
    23   6     0.11  -0.10   0.04     0.00  -0.00   0.01    -0.05   0.04   0.05
    24   8    -0.02   0.03   0.00     0.00  -0.00  -0.02     0.01  -0.01   0.02
    25   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   1     0.11   0.07   0.00    -0.04   0.06   0.54    -0.03  -0.02  -0.11
    27   1     0.09  -0.01   0.04    -0.05   0.07   0.66    -0.01  -0.01  -0.08
    28   1     0.28  -0.09  -0.19     0.02  -0.01  -0.10    -0.06  -0.02  -0.41
    29   1    -0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    30   1    -0.02  -0.02   0.00    -0.01   0.00  -0.01     0.01   0.01   0.00
    31   1    -0.05  -0.04   0.00    -0.00   0.00   0.03     0.03   0.02  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    859.0113               898.4820               910.5673
 Red. masses --      3.0679                 1.6982                 1.5083
 Frc consts  --      1.3338                 0.8077                 0.7368
 IR Inten    --     11.1390                31.7275                11.8067
 RamAct Fr= 1--     30.0391                 2.1019                 0.5711
  Dep-P Fr= 1--      0.0921                 0.7358                 0.4317
  Dep-U Fr= 1--      0.1686                 0.8478                 0.6030
 Alpha2 Fr= 1--      0.5362                 0.0005                 0.0038
 Beta2  Fr= 1--      0.8441                 0.2970                 0.0574
 AlphaG Fr= 1--      0.0643                -0.0054                -0.0030
 Gamma2 Fr= 1--      2.3903                -0.0800                -0.0154
 Delta2 Fr= 1--     -0.7548                 0.2396                 0.1657
 Raman1 Fr= 1--     120.156                  8.407                  2.285
 ROA1   Fr= 1--     205.318                 -0.017                  3.822
 CID1   Fr= 1--       1.709                 -0.002                  1.673
 Raman2 Fr= 1--      10.130                  3.564                  0.689
 ROA2   Fr= 1--      63.406                 -3.837                 -1.696
 CID2   Fr= 1--       6.259                 -1.077                 -2.462
 Raman3 Fr= 1--      20.260                  7.128                  1.378
 ROA3   Fr= 1--     205.318                 -0.017                  3.822
 CID3   Fr= 1--      10.134                 -0.002                  2.774
 RC180  Fr= 1--      -0.663                  0.696                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.04     0.00  -0.00  -0.03    -0.01   0.02   0.08
     2   6     0.07  -0.02   0.03    -0.01   0.01   0.11     0.01   0.00  -0.02
     3   6    -0.12   0.09   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.17
     4   6    -0.00  -0.02   0.05     0.00   0.00   0.02     0.00   0.01   0.07
     5   6    -0.07  -0.03  -0.03    -0.00  -0.01  -0.05    -0.02  -0.02   0.00
     6   6    -0.04   0.01  -0.03     0.00  -0.00  -0.05    -0.01   0.00   0.02
     7   6     0.02  -0.02   0.02    -0.00   0.00   0.02    -0.00  -0.01   0.00
     8   1    -0.27   0.04  -0.19    -0.00   0.00  -0.00    -0.08   0.11   0.88
     9   1    -0.09  -0.00   0.10    -0.03   0.04   0.36    -0.02  -0.01  -0.02
    10   1    -0.12   0.02   0.19    -0.01   0.02   0.16     0.01  -0.00  -0.07
    11   6     0.16   0.06  -0.11     0.00   0.00   0.00     0.01   0.02   0.01
    12   6     0.05   0.01  -0.06    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    13   6    -0.05  -0.10   0.05     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    14   1     0.22   0.06  -0.01     0.01   0.00   0.02     0.01   0.02   0.02
    15   1     0.02   0.02   0.31    -0.01  -0.00   0.00    -0.01  -0.02   0.02
    16   1    -0.31  -0.24  -0.35    -0.02  -0.02  -0.02    -0.06  -0.05  -0.08
    17   1    -0.06   0.03   0.22    -0.00  -0.00   0.01    -0.02  -0.01   0.02
    18   8    -0.10  -0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8     0.07   0.04   0.10     0.00   0.00   0.00     0.01   0.00   0.01
    20   1     0.04   0.03  -0.11     0.00  -0.01   0.00    -0.00   0.03   0.00
    21   6     0.03  -0.02   0.02     0.00  -0.01  -0.03    -0.00  -0.02  -0.05
    22   6     0.05   0.02  -0.03    -0.01   0.01   0.09     0.01   0.00   0.02
    23   6     0.14  -0.06   0.04     0.02  -0.02  -0.18     0.02   0.00   0.00
    24   8    -0.02   0.05  -0.00     0.00   0.00  -0.02    -0.00   0.01  -0.01
    25   6    -0.07  -0.04  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    26   1     0.14   0.00  -0.05     0.01  -0.00  -0.03     0.03  -0.01  -0.12
    27   1     0.02  -0.02  -0.11    -0.01   0.00   0.04    -0.04   0.03   0.34
    28   1     0.29  -0.05  -0.13    -0.06   0.09   0.87     0.03   0.01   0.04
    29   1    -0.03  -0.03   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    30   1    -0.03  -0.04   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.09  -0.08  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    937.7349               948.3059               978.3158
 Red. masses --      4.3978                 1.3319                 1.6526
 Frc consts  --      2.2785                 0.7057                 0.9319
 IR Inten    --     10.4377                 1.8608                 1.6245
 RamAct Fr= 1--      6.8721                 1.1329                10.0172
  Dep-P Fr= 1--      0.2860                 0.6301                 0.1985
  Dep-U Fr= 1--      0.4448                 0.7731                 0.3312
 Alpha2 Fr= 1--      0.0735                 0.0025                 0.1366
 Beta2  Fr= 1--      0.5094                 0.1460                 0.5530
 AlphaG Fr= 1--     -0.0393                 0.0141                -0.3731
 Gamma2 Fr= 1--     -4.7918                 0.1433                -4.7899
 Delta2 Fr= 1--      0.6054                -0.2900                -0.6198
 Raman1 Fr= 1--      27.488                  4.532                 40.069
 ROA1   Fr= 1--    -440.644                  4.480               -479.663
 CID1   Fr= 1--     -16.030                  0.989                -11.971
 Raman2 Fr= 1--       6.113                  1.752                  6.635
 ROA2   Fr= 1--    -119.847                  5.760               -109.999
 CID2   Fr= 1--     -19.606                  3.288                -16.577
 Raman3 Fr= 1--      12.226                  3.503                 13.271
 ROA3   Fr= 1--    -440.644                  4.480               -479.663
 CID3   Fr= 1--     -36.043                  1.279                -36.144
 RC180  Fr= 1--      -0.110                  0.546                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.06   0.01    -0.01   0.00   0.03    -0.01  -0.01  -0.01
     2   6    -0.06  -0.07   0.00    -0.00  -0.00   0.01     0.00   0.01  -0.02
     3   6    -0.13  -0.13  -0.02    -0.00  -0.01  -0.05    -0.00   0.07   0.01
     4   6    -0.13  -0.02   0.01    -0.01   0.00   0.02     0.03  -0.01   0.01
     5   6     0.17   0.20  -0.01     0.01   0.01  -0.01    -0.02  -0.07  -0.10
     6   6     0.05   0.01  -0.01     0.00   0.00   0.00    -0.01   0.07   0.10
     7   6     0.04   0.04   0.02     0.01  -0.01  -0.12    -0.01  -0.05   0.01
     8   1    -0.19  -0.13   0.12    -0.03   0.02   0.24     0.00   0.06  -0.07
     9   1     0.27   0.11  -0.01     0.01   0.01   0.08    -0.05  -0.02   0.64
    10   1    -0.21  -0.03   0.05    -0.01  -0.00  -0.03     0.16   0.01  -0.63
    11   6     0.05  -0.02  -0.08     0.01   0.00   0.00     0.01  -0.00   0.03
    12   6     0.08   0.02   0.01     0.00  -0.00  -0.01    -0.03   0.00  -0.02
    13   6    -0.01  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.16  -0.02  -0.10     0.01   0.00   0.01     0.04   0.01   0.10
    15   1     0.08   0.11   0.31    -0.00   0.00   0.02    -0.04  -0.07  -0.09
    16   1    -0.16  -0.07  -0.15    -0.02  -0.02  -0.03     0.01  -0.04  -0.02
    17   1    -0.07   0.03   0.12    -0.01   0.00   0.01     0.05   0.00   0.04
    18   8    -0.03  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8     0.02   0.01   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.01
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00    -0.00  -0.01  -0.01
    21   6     0.16   0.20  -0.03     0.00   0.02   0.09     0.04   0.08  -0.01
    22   6    -0.12  -0.02  -0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    23   6    -0.14  -0.13  -0.00    -0.00  -0.01  -0.01    -0.01  -0.08   0.03
    24   8    -0.00  -0.08   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    25   6     0.11   0.08   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    26   1    -0.17  -0.02  -0.16    -0.07   0.08   0.74    -0.14  -0.08  -0.06
    27   1     0.23   0.14   0.14     0.06  -0.05  -0.58    -0.01   0.13   0.00
    28   1    -0.23  -0.15   0.02    -0.01  -0.00   0.05    -0.03  -0.10  -0.07
    29   1     0.05   0.06  -0.01     0.01   0.01   0.00     0.00   0.01  -0.00
    30   1     0.05   0.06   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    31   1     0.13   0.12   0.00     0.01   0.00  -0.02     0.03   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.3636              1011.2234              1069.8029
 Red. masses --      2.3418                 1.7381                 3.6666
 Frc consts  --      1.3288                 1.0472                 2.4724
 IR Inten    --      1.8293                 6.1291                56.9896
 RamAct Fr= 1--     18.3034                 4.7505                 5.1553
  Dep-P Fr= 1--      0.1603                 0.2563                 0.0955
  Dep-U Fr= 1--      0.2763                 0.4080                 0.1743
 Alpha2 Fr= 1--      0.2756                 0.0553                 0.0913
 Beta2  Fr= 1--      0.8429                 0.3231                 0.1498
 AlphaG Fr= 1--      0.3614                 0.0270                 0.0001
 Gamma2 Fr= 1--      4.6922                 0.3226                 0.1235
 Delta2 Fr= 1--      1.3471                -0.8582                 0.0634
 Raman1 Fr= 1--      73.213                 19.002                 20.621
 ROA1   Fr= 1--     493.558                  3.505                 13.884
 CID1   Fr= 1--       6.741                  0.184                  0.673
 Raman2 Fr= 1--      10.114                  3.877                  1.797
 ROA2   Fr= 1--     101.835                 14.607                  2.457
 CID2   Fr= 1--      10.068                  3.768                  1.367
 Raman3 Fr= 1--      20.229                  7.754                  3.594
 ROA3   Fr= 1--     493.558                  3.505                 13.884
 CID3   Fr= 1--      24.399                  0.452                  3.863
 RC180  Fr= 1--      -0.447                 -0.184                 -0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.02   0.01  -0.00    -0.02  -0.01  -0.00
     2   6    -0.00  -0.02  -0.01    -0.02  -0.02  -0.00    -0.06   0.05  -0.01
     3   6    -0.01  -0.13   0.02    -0.01  -0.03   0.01     0.02  -0.05   0.01
     4   6    -0.06   0.01   0.01     0.05  -0.07  -0.01     0.01   0.00   0.00
     5   6     0.06   0.11  -0.10     0.03   0.10   0.01     0.03   0.04  -0.00
     6   6    -0.02  -0.08   0.09    -0.03   0.02  -0.01    -0.00  -0.04   0.00
     7   6     0.02   0.09  -0.00     0.01   0.01   0.00    -0.03   0.03  -0.01
     8   1    -0.02  -0.14  -0.01    -0.13  -0.06  -0.04     0.04  -0.05   0.01
     9   1    -0.04   0.24   0.51    -0.02   0.16  -0.11    -0.04   0.11  -0.01
    10   1    -0.19  -0.20  -0.50    -0.22  -0.02   0.02     0.02  -0.04   0.00
    11   6     0.00  -0.01  -0.03     0.06  -0.05   0.12    -0.00   0.01  -0.00
    12   6     0.03  -0.00   0.01    -0.08   0.03  -0.10    -0.01  -0.01   0.01
    13   6    -0.00  -0.01  -0.00    -0.01   0.07   0.01     0.00  -0.01   0.00
    14   1    -0.01  -0.01  -0.08     0.39  -0.01   0.48    -0.00   0.01  -0.03
    15   1     0.05   0.09   0.15    -0.18  -0.34  -0.29     0.00   0.01  -0.02
    16   1    -0.05   0.02  -0.03    -0.00  -0.26  -0.14     0.02   0.03   0.03
    17   1    -0.06   0.00  -0.01     0.21   0.03   0.27    -0.00  -0.01  -0.03
    18   8    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    19   8     0.01   0.00   0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    20   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00  -0.00   0.00
    21   6    -0.06  -0.14   0.01    -0.00  -0.01   0.00     0.04   0.10  -0.01
    22   6     0.04   0.00  -0.00     0.01   0.00   0.00     0.15  -0.08   0.02
    23   6     0.01   0.14  -0.00     0.01   0.01  -0.00    -0.05  -0.08   0.00
    24   8     0.00   0.03  -0.00     0.00   0.01  -0.00     0.19   0.19  -0.00
    25   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.00    -0.21  -0.18   0.00
    26   1     0.26   0.13  -0.03     0.06   0.02   0.00    -0.24  -0.02  -0.02
    27   1     0.03  -0.23   0.03    -0.00  -0.01   0.00    -0.08   0.25  -0.03
    28   1     0.07   0.15  -0.07     0.05   0.03   0.00    -0.67  -0.24  -0.03
    29   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13   0.02
    30   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13  -0.01
    31   1    -0.05  -0.05   0.00    -0.01  -0.01   0.00    -0.18  -0.14   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1088.3007              1103.8713              1165.9612
 Red. masses --      1.7831                 2.5888                 1.6234
 Frc consts  --      1.2443                 1.8586                 1.3003
 IR Inten    --     14.6257                10.3216                20.9241
 RamAct Fr= 1--      6.4158                14.7132                 9.8026
  Dep-P Fr= 1--      0.2226                 0.3263                 0.4895
  Dep-U Fr= 1--      0.3641                 0.4920                 0.6573
 Alpha2 Fr= 1--      0.0820                 0.1393                 0.0508
 Beta2  Fr= 1--      0.3893                 1.2065                 1.0738
 AlphaG Fr= 1--     -0.0797                 0.1420                -0.0026
 Gamma2 Fr= 1--      0.3610                -0.2089                 3.2999
 Delta2 Fr= 1--     -0.7351                 1.5145                 7.2454
 Raman1 Fr= 1--      25.663                 58.853                 39.210
 ROA1   Fr= 1--      11.133                 28.405                548.645
 CID1   Fr= 1--       0.434                  0.483                 13.992
 Raman2 Fr= 1--       4.672                 14.478                 12.886
 ROA2   Fr= 1--      14.545                -17.130                 21.234
 CID2   Fr= 1--       3.113                 -1.183                  1.648
 Raman3 Fr= 1--       9.344                 28.955                 25.772
 ROA3   Fr= 1--      11.133                 28.405                548.645
 CID3   Fr= 1--       1.191                  0.981                 21.289
 RC180  Fr= 1--      -0.272                 -0.016                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.00    -0.01   0.08  -0.01
     2   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.06  -0.01
     3   6    -0.01   0.00   0.01    -0.04  -0.05   0.01     0.02  -0.07   0.01
     4   6    -0.06   0.05  -0.06     0.04  -0.01  -0.02     0.05  -0.02  -0.00
     5   6    -0.01  -0.04   0.01     0.02   0.03   0.00    -0.02   0.04  -0.01
     6   6     0.02  -0.02   0.00    -0.00  -0.00   0.00     0.02  -0.06   0.01
     7   6    -0.00   0.01  -0.00    -0.00  -0.01   0.00     0.03  -0.07   0.01
     8   1     0.13   0.02  -0.05    -0.25  -0.11  -0.04    -0.20  -0.13  -0.02
     9   1     0.03  -0.10  -0.02    -0.03   0.08  -0.01    -0.32   0.36  -0.07
    10   1     0.12  -0.00   0.00    -0.09  -0.02  -0.01     0.16  -0.03   0.01
    11   6    -0.03   0.01   0.13     0.13   0.20   0.13    -0.05   0.01   0.01
    12   6     0.10  -0.04  -0.11    -0.07  -0.16  -0.04     0.02  -0.01  -0.00
    13   6     0.00   0.07   0.06     0.03  -0.07   0.12    -0.01   0.01  -0.07
    14   1    -0.27   0.03   0.33     0.10   0.17  -0.19    -0.22   0.02   0.09
    15   1     0.10   0.12   0.47     0.05   0.19  -0.16     0.03   0.03   0.09
    16   1    -0.38  -0.16  -0.43     0.06   0.26   0.16    -0.06   0.00  -0.04
    17   1    -0.29  -0.02   0.05    -0.22  -0.18  -0.61    -0.07  -0.00  -0.00
    18   8     0.04   0.00  -0.01     0.00   0.01  -0.00    -0.01  -0.01   0.00
    19   8    -0.03  -0.02  -0.05    -0.04  -0.00  -0.07     0.02   0.01   0.02
    20   1    -0.03  -0.01  -0.06    -0.07  -0.03  -0.27     0.05   0.03   0.19
    21   6     0.01  -0.00   0.00     0.02   0.01   0.00    -0.04   0.04  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    23   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.06  -0.02  -0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.03   0.00
    26   1    -0.04   0.01  -0.00     0.04  -0.01   0.00     0.34  -0.01   0.03
    27   1     0.04  -0.04   0.01    -0.00   0.03  -0.00    -0.42   0.44  -0.08
    28   1    -0.06  -0.01  -0.00     0.03  -0.01   0.00    -0.07  -0.09   0.00
    29   1     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.01   0.01  -0.01
    30   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.02  -0.00
    31   1    -0.01  -0.00   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5447              1177.3261              1184.8988
 Red. masses --      1.2709                 2.2582                 1.5629
 Frc consts  --      1.0295                 1.8442                 1.2928
 IR Inten    --      0.9501                54.7240                34.9415
 RamAct Fr= 1--      0.6961                49.6656                 1.8317
  Dep-P Fr= 1--      0.7381                 0.4614                 0.3007
  Dep-U Fr= 1--      0.8493                 0.6315                 0.4624
 Alpha2 Fr= 1--      0.0001                 0.2906                 0.0187
 Beta2  Fr= 1--      0.0985                 5.2272                 0.1412
 AlphaG Fr= 1--     -0.0137                -0.2143                 0.0012
 Gamma2 Fr= 1--     -0.2246               -19.8625                -0.1977
 Delta2 Fr= 1--     -0.0822                -7.5243                 0.1934
 Raman1 Fr= 1--       2.784                198.663                  7.327
 ROA1   Fr= 1--     -24.196              -2147.578                -12.791
 CID1   Fr= 1--      -8.690                -10.810                 -1.746
 Raman2 Fr= 1--       1.182                 62.726                  1.694
 ROA2   Fr= 1--      -4.734               -416.506                 -6.291
 CID2   Fr= 1--      -4.004                 -6.640                 -3.714
 Raman3 Fr= 1--       2.365                125.452                  3.388
 ROA3   Fr= 1--     -24.196              -2147.578                -12.791
 CID3   Fr= 1--     -10.232                -17.119                 -3.776
 RC180  Fr= 1--       0.699                  0.263                 -0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.03  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.03  -0.00    -0.08  -0.05  -0.00
     3   6     0.00  -0.00   0.00     0.02  -0.01  -0.01     0.03   0.02   0.00
     4   6     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.01  -0.03   0.00
     5   6    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.05  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.02   0.05  -0.01
     7   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.05  -0.03   0.01
     8   1    -0.00  -0.00  -0.00     0.18   0.03   0.05    -0.01   0.01  -0.00
     9   1    -0.00   0.00  -0.00    -0.13   0.12  -0.00     0.33  -0.30   0.06
    10   1     0.00  -0.00  -0.00     0.15  -0.01   0.02    -0.21   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.01  -0.06  -0.09    -0.03   0.01   0.00
    12   6     0.00  -0.00  -0.00     0.01   0.07   0.01     0.01  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.04  -0.01   0.24     0.00  -0.00   0.01
    14   1    -0.00   0.00   0.00     0.17  -0.08  -0.29    -0.06   0.01  -0.03
    15   1     0.00   0.00   0.00    -0.04  -0.11  -0.03     0.02   0.03   0.05
    16   1    -0.00   0.00  -0.00     0.03  -0.11  -0.03    -0.03   0.01  -0.03
    17   1    -0.00  -0.00  -0.00     0.14   0.08   0.21    -0.03  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.06   0.02  -0.02     0.01   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.08  -0.02  -0.06    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.01    -0.16  -0.08  -0.62    -0.01  -0.00  -0.02
    21   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.06  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.02  -0.01   0.00    -0.06   0.05  -0.01
    23   6     0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.04  -0.03   0.00
    24   8    -0.01   0.01   0.06    -0.03  -0.01  -0.00     0.05   0.05  -0.00
    25   6     0.01  -0.01  -0.14     0.01   0.02  -0.00     0.02  -0.10   0.01
    26   1     0.00  -0.00  -0.00     0.23   0.03   0.02     0.44   0.05   0.03
    27   1    -0.00   0.00   0.01    -0.22   0.23  -0.04    -0.25   0.20  -0.04
    28   1    -0.00   0.00   0.01    -0.06  -0.04   0.00     0.27   0.04   0.02
    29   1     0.44   0.48   0.17     0.02   0.01  -0.00    -0.25  -0.01   0.04
    30   1    -0.47  -0.44   0.19     0.01  -0.00   0.01    -0.24  -0.02  -0.07
    31   1    -0.02   0.03   0.28    -0.03  -0.04   0.01     0.30   0.31  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.0584              1200.7887              1213.9668
 Red. masses --      1.4851                 1.3469                 1.6612
 Frc consts  --      1.2371                 1.1442                 1.4424
 IR Inten    --     38.3792                28.9384                30.9831
 RamAct Fr= 1--      3.3314                86.2479                73.3851
  Dep-P Fr= 1--      0.7459                 0.2504                 0.2686
  Dep-U Fr= 1--      0.8545                 0.4005                 0.4235
 Alpha2 Fr= 1--      0.0002                 1.0211                 0.8251
 Beta2  Fr= 1--      0.4744                 5.7567                 5.1792
 AlphaG Fr= 1--     -0.0000                -0.0999                -0.0979
 Gamma2 Fr= 1--      4.8061                 5.6532                -2.2287
 Delta2 Fr= 1--      0.3038                 3.1014                -0.3671
 Raman1 Fr= 1--      13.326                344.992                293.540
 ROA1   Fr= 1--     471.110                641.947               -225.699
 CID1   Fr= 1--      35.353                  1.861                 -0.769
 Raman2 Fr= 1--       5.693                 69.080                 62.150
 ROA2   Fr= 1--     112.916                110.865                -50.551
 CID2   Fr= 1--      19.833                  1.605                 -0.813
 Raman3 Fr= 1--      11.387                138.161                124.300
 ROA3   Fr= 1--     471.110                641.947               -225.699
 CID3   Fr= 1--      41.374                  4.646                 -1.816
 RC180  Fr= 1--       0.709                 -0.199                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04  -0.00    -0.05  -0.02  -0.00    -0.01   0.02  -0.00
     2   6    -0.10  -0.01  -0.01    -0.02  -0.02   0.00    -0.09  -0.04  -0.00
     3   6     0.01  -0.02   0.00     0.02   0.03   0.00     0.03   0.00   0.00
     4   6    -0.04  -0.01  -0.00    -0.07   0.01  -0.01     0.10  -0.06   0.01
     5   6    -0.04   0.03  -0.01     0.00  -0.02   0.00     0.04   0.02   0.00
     6   6     0.06   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.06  -0.01
     7   6     0.03   0.02   0.00     0.03   0.03  -0.00     0.00  -0.00   0.00
     8   1     0.31   0.05   0.01     0.45   0.13   0.01    -0.36  -0.09  -0.02
     9   1    -0.23   0.24  -0.05     0.24  -0.27   0.04     0.12  -0.06   0.02
    10   1     0.65   0.14   0.04    -0.16  -0.03  -0.01    -0.07   0.05  -0.01
    11   6     0.02   0.01   0.02     0.04   0.01   0.03    -0.07   0.02  -0.02
    12   6    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00     0.03   0.02  -0.00
    13   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.04     0.01   0.00   0.03
    14   1     0.16   0.01   0.02     0.22   0.01   0.06    -0.31   0.01  -0.08
    15   1     0.00   0.01  -0.01     0.01   0.03  -0.02     0.02   0.01   0.07
    16   1     0.01   0.02   0.02     0.02   0.04   0.04    -0.06  -0.01  -0.06
    17   1    -0.01  -0.02  -0.05    -0.01  -0.03  -0.08    -0.04   0.02   0.06
    18   8    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.01  -0.01
    19   8     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.01
    20   1     0.02   0.02   0.08     0.03   0.02   0.10    -0.02  -0.01  -0.09
    21   6     0.00   0.02  -0.00    -0.02   0.03  -0.01    -0.01   0.02  -0.00
    22   6    -0.06  -0.02  -0.00     0.05  -0.04   0.01    -0.01  -0.04   0.00
    23   6     0.02  -0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    24   8     0.05   0.01   0.00    -0.02  -0.03   0.00     0.06  -0.03   0.01
    25   6    -0.03  -0.03   0.00    -0.03   0.07  -0.01    -0.08   0.06  -0.01
    26   1     0.14   0.05   0.01     0.38   0.11   0.02    -0.11  -0.03  -0.01
    27   1     0.13  -0.11   0.02    -0.24   0.27  -0.05    -0.04   0.05  -0.01
    28   1     0.46   0.10   0.03    -0.12  -0.03  -0.01     0.41   0.10   0.02
    29   1     0.00  -0.01   0.01     0.20   0.00  -0.03     0.31  -0.01  -0.03
    30   1     0.01  -0.01  -0.01     0.19   0.01   0.06     0.30  -0.00   0.08
    31   1     0.02   0.04  -0.00    -0.25  -0.27   0.01    -0.36  -0.35   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1280.1118              1284.2062              1296.2470
 Red. masses --      2.4248                 1.5381                 1.7678
 Frc consts  --      2.3411                 1.4946                 1.7501
 IR Inten    --     45.4043                31.7148                24.1869
 RamAct Fr= 1--      8.2139                11.1665                 7.3042
  Dep-P Fr= 1--      0.4412                 0.6546                 0.4420
  Dep-U Fr= 1--      0.6123                 0.7912                 0.6130
 Alpha2 Fr= 1--      0.0521                 0.0191                 0.0462
 Beta2  Fr= 1--      0.8382                 1.4725                 0.7463
 AlphaG Fr= 1--     -0.0553                 0.0021                 0.0029
 Gamma2 Fr= 1--      0.4600                -6.9472                15.3621
 Delta2 Fr= 1--      0.0982                 0.2135                -0.7386
 Raman1 Fr= 1--      32.856                 44.666                 29.217
 ROA1   Fr= 1--      47.305               -660.102               1451.126
 CID1   Fr= 1--       1.440                -14.779                 49.667
 Raman2 Fr= 1--      10.058                 17.671                  8.955
 ROA2   Fr= 1--      10.255               -168.442                374.598
 CID2   Fr= 1--       1.020                 -9.532                 41.831
 Raman3 Fr= 1--      20.117                 35.341                 17.910
 ROA3   Fr= 1--      47.305               -660.102               1451.126
 CID3   Fr= 1--       2.352                -18.678                 81.023
 RC180  Fr= 1--       0.225                  0.582                  0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22   0.06   0.01     0.02   0.05  -0.00    -0.05   0.13  -0.02
     2   6     0.01   0.02  -0.00    -0.00   0.03  -0.00    -0.03   0.14  -0.02
     3   6    -0.04  -0.00  -0.00     0.03   0.03   0.00     0.03  -0.06   0.01
     4   6    -0.15   0.13  -0.02     0.01  -0.08  -0.00    -0.03   0.01   0.00
     5   6    -0.00   0.00  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     6   6    -0.02  -0.06   0.01    -0.00  -0.01   0.00    -0.02  -0.06   0.01
     7   6     0.02  -0.05   0.01     0.00  -0.03   0.00    -0.02  -0.05   0.00
     8   1    -0.37  -0.07  -0.02     0.19   0.07  -0.01     0.45   0.03   0.04
     9   1     0.12  -0.14   0.02    -0.08   0.10  -0.01     0.08  -0.07   0.01
    10   1     0.34   0.01   0.03    -0.21  -0.05  -0.01    -0.35  -0.14  -0.02
    11   6     0.07  -0.03   0.01    -0.14   0.03   0.05     0.03  -0.01  -0.04
    12   6    -0.03  -0.01  -0.00     0.05  -0.00  -0.02    -0.01  -0.02   0.01
    13   6    -0.00  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.02  -0.04
    14   1     0.37  -0.02   0.06     0.63  -0.01  -0.39    -0.09   0.02   0.29
    15   1    -0.02   0.00  -0.04     0.03  -0.00   0.14     0.02   0.05  -0.02
    16   1     0.07  -0.00   0.05    -0.11   0.01  -0.10     0.03   0.04   0.05
    17   1     0.07  -0.01  -0.02    -0.13   0.00   0.04     0.02  -0.02  -0.04
    18   8    -0.02  -0.01   0.00    -0.02   0.00  -0.01     0.02   0.00   0.01
    19   8     0.01   0.00  -0.02     0.01   0.01  -0.04    -0.01  -0.00   0.03
    20   1     0.04   0.02   0.17     0.07   0.05   0.39    -0.05  -0.03  -0.28
    21   6    -0.05  -0.04   0.00    -0.00  -0.01   0.00     0.04  -0.00   0.00
    22   6    -0.05   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    23   6    -0.07  -0.02  -0.00     0.01  -0.00   0.00     0.03  -0.06   0.01
    24   8     0.07  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    25   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   1    -0.26  -0.13  -0.01    -0.26  -0.09  -0.01    -0.39  -0.13  -0.02
    27   1    -0.32   0.24  -0.05    -0.00  -0.00   0.00     0.03   0.01   0.00
    28   1     0.29   0.07   0.02     0.07   0.01   0.01     0.47   0.05   0.03
    29   1     0.11  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.00   0.00
    30   1     0.11  -0.00   0.02    -0.01   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.11  -0.11   0.00     0.02   0.01  -0.00     0.02   0.01  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.7568              1310.3905              1340.5377
 Red. masses --      2.5313                 1.6577                 1.7942
 Frc consts  --      2.5467                 1.6771                 1.8997
 IR Inten    --    237.6773               173.7708               124.7663
 RamAct Fr= 1--     26.6853                 8.8297                 6.7806
  Dep-P Fr= 1--      0.1837                 0.2660                 0.5897
  Dep-U Fr= 1--      0.3104                 0.4203                 0.7419
 Alpha2 Fr= 1--      0.3783                 0.1000                 0.0203
 Beta2  Fr= 1--      1.3805                 0.6185                 0.8384
 AlphaG Fr= 1--     -0.1211                 0.1221                -0.0499
 Gamma2 Fr= 1--     -1.0210                -4.4750                -2.1068
 Delta2 Fr= 1--      0.6866                -1.3435                 1.8028
 Raman1 Fr= 1--     106.741                 35.319                 27.122
 ROA1   Fr= 1--     -76.046               -472.593               -144.562
 CID1   Fr= 1--      -0.712                -13.381                 -5.330
 Raman2 Fr= 1--      16.566                  7.422                 10.061
 ROA2   Fr= 1--     -29.997                -96.651                -64.986
 CID2   Fr= 1--      -1.811                -13.022                 -6.459
 Raman3 Fr= 1--      33.131                 14.844                 20.123
 ROA3   Fr= 1--     -76.046               -472.593               -144.562
 CID3   Fr= 1--      -2.295                -31.837                 -7.184
 RC180  Fr= 1--      -0.379                 -0.159                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03   0.01    -0.05   0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.12  -0.08  -0.00    -0.04   0.02  -0.01    -0.01  -0.01   0.00
     3   6     0.02   0.04  -0.00     0.01  -0.05   0.01     0.01   0.01  -0.01
     4   6    -0.02  -0.02  -0.00     0.00   0.06  -0.00     0.01  -0.03   0.02
     5   6    -0.00   0.04  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
     7   6     0.02   0.09  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.25  -0.02  -0.02     0.03  -0.05   0.00    -0.01   0.02   0.04
     9   1     0.17  -0.14   0.03     0.16  -0.17   0.03    -0.02   0.03   0.01
    10   1     0.34   0.11   0.02     0.03  -0.00   0.01    -0.04   0.00  -0.00
    11   6    -0.03   0.01  -0.01     0.10  -0.02   0.04    -0.02   0.01  -0.17
    12   6     0.01  -0.02   0.00    -0.03   0.05  -0.02     0.01  -0.05   0.05
    13   6    -0.00  -0.01  -0.04     0.00   0.01   0.09     0.00   0.04   0.15
    14   1     0.19   0.03   0.14    -0.44  -0.08  -0.42     0.07   0.11   0.75
    15   1     0.03   0.06   0.05    -0.08  -0.11  -0.08     0.08   0.14  -0.06
    16   1    -0.02   0.06   0.01     0.05  -0.14  -0.04    -0.02   0.12   0.08
    17   1    -0.05  -0.02  -0.03     0.13   0.06   0.11    -0.04  -0.06  -0.18
    18   8     0.02   0.01   0.01    -0.04  -0.02  -0.01    -0.02  -0.01  -0.02
    19   8    -0.01   0.00   0.04     0.02   0.00  -0.08     0.01  -0.01  -0.08
    20   1    -0.05  -0.02  -0.26     0.12   0.06   0.61     0.08   0.06   0.49
    21   6     0.02  -0.03   0.01     0.03  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.18  -0.14   0.03     0.06  -0.04   0.01     0.01  -0.01   0.00
    23   6     0.02   0.04  -0.00     0.02  -0.02   0.00     0.01   0.01  -0.00
    24   8    -0.14   0.04  -0.02    -0.05   0.01  -0.01    -0.01   0.00  -0.00
    25   6     0.09   0.00   0.01     0.03   0.00   0.00     0.00   0.00   0.00
    26   1    -0.45  -0.02  -0.04    -0.09   0.01  -0.01    -0.01   0.00   0.00
    27   1    -0.23   0.24  -0.04    -0.00   0.04  -0.00     0.00  -0.00   0.00
    28   1     0.14   0.06   0.00     0.15   0.01   0.01    -0.04  -0.00  -0.00
    29   1    -0.26  -0.00  -0.00    -0.08   0.00  -0.00    -0.01   0.00   0.00
    30   1    -0.26  -0.00  -0.04    -0.08   0.00  -0.01    -0.01   0.00  -0.00
    31   1     0.08   0.01   0.01     0.03   0.01   0.00     0.01   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1383.0869              1402.2030              1416.1768
 Red. masses --      2.5203                 2.6303                 2.0517
 Frc consts  --      2.8406                 3.0471                 2.4244
 IR Inten    --     14.1464                 4.9147                 5.2270
 RamAct Fr= 1--     99.1756                63.0667               370.9774
  Dep-P Fr= 1--      0.2115                 0.1727                 0.2158
  Dep-U Fr= 1--      0.3491                 0.2946                 0.3550
 Alpha2 Fr= 1--      1.3062                 0.9199                 4.8300
 Beta2  Fr= 1--      5.7710                 3.0962                21.9467
 AlphaG Fr= 1--      0.2450                -0.2408                -1.7401
 Gamma2 Fr= 1--      2.7369                 0.4234                -6.9653
 Delta2 Fr= 1--     -1.5863                -2.1581                 0.4558
 Raman1 Fr= 1--     396.702                252.267               1483.909
 ROA1   Fr= 1--     211.983                -28.414               -654.089
 CID1   Fr= 1--       0.534                 -0.113                 -0.441
 Raman2 Fr= 1--      69.252                 37.154                263.360
 ROA2   Fr= 1--      78.376                 27.426               -170.814
 CID2   Fr= 1--       1.132                  0.738                 -0.649
 Raman3 Fr= 1--     138.504                 74.308                526.720
 ROA3   Fr= 1--     211.983                -28.414               -654.089
 CID3   Fr= 1--       1.531                 -0.382                 -1.242
 RC180  Fr= 1--      -0.302                 -0.411                 -0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.13  -0.02    -0.05  -0.06   0.00     0.02  -0.13   0.02
     2   6    -0.05  -0.06   0.00    -0.07   0.12  -0.02    -0.03   0.13  -0.02
     3   6     0.08  -0.07   0.02     0.11   0.02   0.01    -0.06  -0.03  -0.00
     4   6     0.04   0.08  -0.01    -0.03   0.04  -0.01     0.07   0.10  -0.01
     5   6     0.00   0.04  -0.00    -0.07   0.05  -0.01     0.07  -0.05   0.01
     6   6    -0.07  -0.02  -0.00     0.02  -0.08   0.01    -0.10  -0.02  -0.01
     7   6    -0.14  -0.05  -0.01     0.11  -0.05   0.01    -0.01   0.02  -0.00
     8   1    -0.08  -0.12   0.00    -0.49  -0.12  -0.03    -0.10  -0.05  -0.00
     9   1     0.32  -0.29   0.06     0.28  -0.34   0.06     0.07  -0.03   0.02
    10   1     0.46   0.10   0.03    -0.05  -0.11   0.01     0.03   0.01  -0.00
    11   6    -0.06  -0.02  -0.01    -0.01  -0.01   0.00    -0.04  -0.01  -0.00
    12   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.03     0.06   0.04   0.10
    13   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    14   1     0.32  -0.00   0.05     0.15  -0.01   0.02     0.23  -0.01   0.00
    15   1     0.02   0.03   0.06     0.02   0.11   0.15    -0.01  -0.25  -0.45
    16   1     0.01   0.07   0.02     0.12   0.09   0.09    -0.39  -0.19  -0.26
    17   1    -0.03  -0.01   0.05     0.08  -0.01   0.14    -0.25   0.00  -0.39
    18   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
    21   6     0.05  -0.03   0.01    -0.13   0.11  -0.02    -0.01   0.03  -0.00
    22   6     0.10   0.17  -0.01    -0.07  -0.07   0.00     0.02  -0.03   0.00
    23   6     0.01  -0.10   0.01     0.19   0.03   0.01     0.03  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    25   6    -0.00   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00   0.00
    26   1     0.26   0.04   0.02    -0.02  -0.09   0.01     0.23   0.08   0.01
    27   1     0.30  -0.28   0.05     0.23  -0.28   0.05     0.06  -0.04   0.01
    28   1    -0.18  -0.16   0.00    -0.29  -0.08  -0.02     0.16   0.00   0.01
    29   1     0.02  -0.03  -0.03     0.08   0.01   0.02    -0.03  -0.01  -0.01
    30   1     0.01  -0.02   0.04     0.08   0.01  -0.00    -0.03  -0.00   0.00
    31   1    -0.07  -0.06   0.00     0.10   0.15  -0.01    -0.01  -0.02   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1420.1996              1456.8193              1480.0713
 Red. masses --      1.8494                 3.5640                 1.2120
 Frc consts  --      2.1978                 4.4566                 1.5643
 IR Inten    --     10.1416                 1.7040                 7.8094
 RamAct Fr= 1--    197.0439               221.8290                11.3585
  Dep-P Fr= 1--      0.1967                 0.2824                 0.4025
  Dep-U Fr= 1--      0.3288                 0.4404                 0.5739
 Alpha2 Fr= 1--      2.6993                 2.3967                 0.0834
 Beta2  Fr= 1--     10.7968                16.2824                 1.0865
 AlphaG Fr= 1--     -1.1040                 0.2675                -0.0580
 Gamma2 Fr= 1--     -2.7982                -5.3727                 0.4916
 Delta2 Fr= 1--      1.7136                 1.3294                -0.1313
 Raman1 Fr= 1--     788.176                887.316                 45.434
 ROA1   Fr= 1--    -213.794               -473.237                 42.990
 CID1   Fr= 1--      -0.271                 -0.533                  0.946
 Raman2 Fr= 1--     129.561                195.388                 13.038
 ROA2   Fr= 1--     -80.865               -139.580                 12.848
 CID2   Fr= 1--      -0.624                 -0.714                  0.985
 Raman3 Fr= 1--     259.123                390.777                 26.076
 ROA3   Fr= 1--    -213.794               -473.237                 42.990
 CID3   Fr= 1--      -0.825                 -1.211                  1.649
 RC180  Fr= 1--      -0.342                 -0.119                  0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.11   0.01    -0.16   0.01  -0.01    -0.02  -0.00  -0.00
     2   6     0.00   0.09  -0.01     0.18  -0.03   0.02     0.01  -0.01   0.00
     3   6    -0.08  -0.03  -0.00     0.13  -0.04   0.02    -0.02  -0.01  -0.00
     4   6     0.08   0.07  -0.00     0.03   0.16  -0.01     0.03   0.01   0.00
     5   6     0.08  -0.06   0.01    -0.14  -0.03  -0.01     0.01   0.01  -0.00
     6   6    -0.08   0.01  -0.01     0.14  -0.01   0.01    -0.03  -0.00  -0.00
     7   6    -0.03   0.03  -0.01    -0.11   0.02  -0.01    -0.00   0.03  -0.00
     8   1    -0.01  -0.02  -0.00    -0.46  -0.19  -0.02     0.05   0.00   0.00
     9   1    -0.07   0.10  -0.02    -0.01  -0.20   0.02     0.05  -0.04   0.01
    10   1    -0.02   0.03  -0.01    -0.25  -0.11  -0.01     0.09   0.03   0.00
    11   6    -0.04   0.00  -0.01    -0.05  -0.03  -0.00    -0.01  -0.00  -0.00
    12   6    -0.04  -0.05  -0.10     0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.16   0.01   0.04     0.36  -0.02   0.03     0.01  -0.00   0.00
    15   1     0.01   0.22   0.47    -0.01  -0.05  -0.01     0.00  -0.01  -0.03
    16   1     0.38   0.27   0.28    -0.02   0.00  -0.01    -0.02   0.07   0.00
    17   1     0.15  -0.01   0.43    -0.07   0.00  -0.02    -0.03   0.00   0.05
    18   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.01  -0.00   0.03    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    21   6     0.02   0.00   0.00     0.13   0.02   0.01     0.04  -0.04   0.01
    22   6     0.02  -0.02   0.00    -0.07  -0.16   0.01     0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00    -0.13   0.06  -0.02     0.01   0.01   0.00
    24   8    -0.01   0.01  -0.00     0.02   0.04  -0.00    -0.04  -0.01  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.02   0.00    -0.08  -0.06  -0.00
    26   1     0.22   0.09   0.01     0.19   0.10   0.00    -0.09   0.02  -0.01
    27   1    -0.00   0.04  -0.00    -0.04   0.23  -0.03    -0.14   0.15  -0.03
    28   1     0.22   0.04   0.01     0.33   0.19   0.01    -0.04  -0.01  -0.00
    29   1    -0.05  -0.01  -0.01    -0.05   0.05   0.04     0.44   0.24   0.18
    30   1    -0.05  -0.00  -0.00    -0.05   0.04  -0.05     0.48   0.20  -0.15
    31   1    -0.03  -0.05   0.00     0.01  -0.02   0.00     0.30   0.49  -0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.0570              1496.0769              1497.9596
 Red. masses --      1.0536                 1.0466                 1.0531
 Frc consts  --      1.3819                 1.3801                 1.3922
 IR Inten    --      7.7115                 8.0834                 6.9190
 RamAct Fr= 1--      5.3425                11.9316                 8.4638
  Dep-P Fr= 1--      0.7487                 0.7500                 0.5727
  Dep-U Fr= 1--      0.8563                 0.8571                 0.7283
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0283
 Beta2  Fr= 1--      0.7624                 1.7045                 1.0274
 AlphaG Fr= 1--      0.0004                 0.0003                 0.1115
 Gamma2 Fr= 1--      0.8853                -0.0630                 3.7165
 Delta2 Fr= 1--     -1.3273                 0.0531                 2.5807
 Raman1 Fr= 1--      21.370                 47.726                 33.855
 ROA1   Fr= 1--      42.518                 -4.346                439.366
 CID1   Fr= 1--       1.990                 -0.091                 12.978
 Raman2 Fr= 1--       9.149                 20.454                 12.328
 ROA2   Fr= 1--      31.866                 -1.936                 68.550
 CID2   Fr= 1--       3.483                 -0.095                  5.560
 Raman3 Fr= 1--      18.299                 40.908                 24.656
 ROA3   Fr= 1--      42.518                 -4.346                439.366
 CID3   Fr= 1--       2.324                 -0.106                 17.819
 RC180  Fr= 1--       0.713                  0.714                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     2   6     0.02   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
     5   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
     9   1     0.02  -0.02   0.00    -0.00   0.00   0.00    -0.02   0.02  -0.02
    10   1     0.03  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.03  -0.00   0.02
    12   6     0.02  -0.05  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.02
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.05  -0.03  -0.06     0.00  -0.00  -0.00     0.04  -0.01  -0.04
    15   1     0.12   0.19  -0.45     0.00   0.00  -0.00     0.18   0.59  -0.06
    16   1    -0.41   0.55  -0.07    -0.00   0.00  -0.00    -0.20  -0.29  -0.18
    17   1    -0.02   0.00   0.49     0.00  -0.00   0.00     0.65  -0.03  -0.14
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    24   8     0.01   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.01  -0.06    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.00
    27   1    -0.01   0.01  -0.00     0.00  -0.00  -0.02     0.01   0.00   0.00
    28   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02   0.00   0.00
    29   1    -0.05  -0.01  -0.01    -0.47   0.12   0.02     0.02   0.02   0.01
    30   1    -0.05  -0.01   0.01     0.46  -0.12   0.13     0.02   0.01  -0.01
    31   1    -0.03  -0.05   0.00    -0.06   0.07   0.71     0.01   0.02  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.3767              1525.3385              1547.6485
 Red. masses --      1.0584                 2.4131                 3.3931
 Frc consts  --      1.4151                 3.3079                 4.7884
 IR Inten    --     49.2528                22.1455                80.4512
 RamAct Fr= 1--     15.1096               151.6280                18.0946
  Dep-P Fr= 1--      0.4575                 0.2627                 0.1408
  Dep-U Fr= 1--      0.6277                 0.4161                 0.2469
 Alpha2 Fr= 1--      0.0899                 1.7340                 0.2863
 Beta2  Fr= 1--      1.5808                10.5142                 0.7446
 AlphaG Fr= 1--      0.0049                -0.1231                -0.3578
 Gamma2 Fr= 1--      0.1607                -3.7942                -1.0772
 Delta2 Fr= 1--      0.4719                 0.8720                 0.5419
 Raman1 Fr= 1--      60.438                606.512                 72.379
 ROA1   Fr= 1--      30.527               -336.339                -86.071
 CID1   Fr= 1--       0.505                 -0.555                 -1.189
 Raman2 Fr= 1--      18.970                126.170                  8.935
 ROA2   Fr= 1--       0.082                -98.036                -30.189
 CID2   Fr= 1--       0.004                 -0.777                 -3.379
 Raman3 Fr= 1--      37.940                252.340                 17.870
 ROA3   Fr= 1--      30.527               -336.339                -86.071
 CID3   Fr= 1--       0.805                 -1.333                 -4.816
 RC180  Fr= 1--       0.255                 -0.168                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.15  -0.03  -0.01
     2   6     0.00   0.00  -0.00     0.14   0.02   0.01    -0.11  -0.04  -0.00
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03  -0.00     0.02  -0.07   0.01
     4   6     0.01  -0.01   0.00     0.13  -0.05   0.02     0.03   0.17  -0.02
     5   6    -0.00   0.01  -0.00    -0.05   0.12  -0.02     0.03  -0.13   0.02
     6   6    -0.01  -0.01  -0.00    -0.13  -0.07  -0.00     0.08   0.08  -0.00
     7   6     0.01  -0.00   0.00     0.07   0.04   0.00     0.16   0.10   0.00
     8   1     0.02   0.00   0.00     0.25   0.04   0.02    -0.11  -0.11   0.00
     9   1     0.03  -0.02   0.01     0.37  -0.32   0.07    -0.21   0.13  -0.03
    10   1     0.04   0.00   0.00     0.45   0.05   0.03    -0.27   0.00  -0.02
    11   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01    -0.02  -0.02   0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.03   0.02   0.01     0.19  -0.01   0.00
    15   1    -0.00  -0.01   0.02    -0.01   0.02   0.10     0.01   0.02  -0.02
    16   1     0.01  -0.02   0.00     0.07  -0.11   0.01    -0.03   0.01  -0.01
    17   1    -0.00  -0.00  -0.01     0.04  -0.00  -0.09     0.02   0.00   0.02
    18   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00  -0.01
    21   6    -0.00  -0.00   0.00     0.04  -0.06   0.01     0.03  -0.16   0.02
    22   6    -0.02   0.01  -0.00    -0.14  -0.01  -0.01    -0.07   0.17  -0.02
    23   6     0.01   0.00   0.00     0.03   0.05  -0.00     0.10  -0.04   0.01
    24   8     0.02  -0.01   0.00     0.05   0.01   0.00     0.03  -0.02   0.00
    25   6     0.03  -0.04   0.01     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1    -0.01  -0.01  -0.00    -0.25  -0.03  -0.02    -0.49  -0.04  -0.04
    27   1     0.01  -0.01   0.00    -0.24   0.24  -0.05    -0.37   0.24  -0.06
    28   1    -0.04  -0.01  -0.00    -0.13   0.02  -0.01    -0.29  -0.13  -0.01
    29   1    -0.18   0.54   0.30    -0.12  -0.17  -0.11    -0.08  -0.06  -0.05
    30   1    -0.11   0.46  -0.43    -0.14  -0.15   0.12    -0.09  -0.05   0.05
    31   1    -0.19  -0.34   0.02    -0.06  -0.11   0.01    -0.08  -0.12   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1608.9863              1653.8932              1676.7377
 Red. masses --      6.8811                 5.7627                 6.3546
 Frc consts  --     10.4958                 9.2874                10.5261
 IR Inten    --      7.1814               114.6351                58.0228
 RamAct Fr= 1--     79.6867                 8.0957               456.3870
  Dep-P Fr= 1--      0.4807                 0.6667                 0.3688
  Dep-U Fr= 1--      0.6493                 0.8000                 0.5389
 Alpha2 Fr= 1--      0.4295                 0.0120                 3.7660
 Beta2  Fr= 1--      8.6228                 1.0795                40.9880
 AlphaG Fr= 1--     -0.5754                -0.0406                -1.8719
 Gamma2 Fr= 1--     -0.0465                 0.7053               -12.5982
 Delta2 Fr= 1--      0.8115                 3.2286                 0.5466
 Raman1 Fr= 1--     318.747                 32.383               1825.548
 ROA1   Fr= 1--      21.500                171.024              -1191.934
 CID1   Fr= 1--       0.067                  5.281                 -0.653
 Raman2 Fr= 1--     103.474                 12.954                491.856
 ROA2   Fr= 1--      -7.609                 -8.901               -306.729
 CID2   Fr= 1--      -0.074                 -0.687                 -0.624
 Raman3 Fr= 1--     206.947                 25.908                983.711
 ROA3   Fr= 1--      21.500                171.024              -1191.934
 CID3   Fr= 1--       0.104                  6.601                 -1.212
 RC180  Fr= 1--       0.299                  0.600                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.28  -0.03    -0.00   0.04  -0.00     0.26   0.05   0.02
     2   6     0.05  -0.28   0.03    -0.03  -0.01  -0.00    -0.25  -0.03  -0.02
     3   6    -0.14  -0.16   0.01     0.21   0.08   0.01    -0.24  -0.07  -0.01
     4   6     0.09   0.22  -0.02    -0.21  -0.07  -0.01     0.16   0.07   0.01
     5   6     0.15  -0.17   0.03     0.22  -0.09   0.03    -0.17   0.06  -0.02
     6   6    -0.13   0.10  -0.02    -0.22   0.03  -0.02     0.24   0.01   0.02
     7   6     0.12  -0.12   0.02    -0.22   0.00  -0.02    -0.24  -0.03  -0.02
     8   1     0.33  -0.05   0.03    -0.29  -0.01  -0.02     0.34   0.05   0.02
     9   1    -0.15   0.17  -0.03    -0.16   0.34  -0.05     0.09  -0.23   0.03
    10   1     0.16   0.18  -0.01     0.18   0.14  -0.00    -0.28  -0.12  -0.01
    11   6    -0.03  -0.02  -0.00     0.04   0.01   0.00    -0.02  -0.01  -0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.00
    14   1     0.16  -0.01   0.00    -0.09   0.00  -0.01     0.06  -0.01   0.01
    15   1     0.00   0.02  -0.01    -0.00  -0.01  -0.02    -0.00   0.01   0.01
    16   1    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    17   1     0.02   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00  -0.01     0.01   0.00   0.02    -0.01  -0.01  -0.03
    21   6    -0.17   0.21  -0.04     0.20  -0.06   0.02     0.15  -0.03   0.02
    22   6    -0.04  -0.24   0.02    -0.22  -0.11  -0.01    -0.14  -0.08  -0.00
    23   6     0.07   0.15  -0.01     0.23   0.10   0.01     0.23   0.06   0.01
    24   8    -0.00   0.02  -0.00     0.03   0.01   0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
    26   1    -0.11  -0.18   0.01     0.21   0.11   0.01     0.30   0.09   0.01
    27   1     0.24  -0.23   0.04    -0.12   0.30  -0.04    -0.04   0.18  -0.02
    28   1    -0.21   0.09  -0.03    -0.32  -0.02  -0.02    -0.30  -0.06  -0.02
    29   1    -0.01   0.01   0.01    -0.06  -0.05  -0.04    -0.05  -0.04  -0.03
    30   1    -0.00   0.01  -0.02    -0.07  -0.05   0.04    -0.05  -0.03   0.03
    31   1     0.04   0.03   0.00     0.00  -0.03   0.00     0.00  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0761              3010.6353              3015.2783
 Red. masses --     10.3642                 1.0347                 1.0817
 Frc consts  --     20.6307                 5.5256                 5.7943
 IR Inten    --    430.3463                65.9884                 9.8324
 RamAct Fr= 1--     37.7755               285.3471                69.6625
  Dep-P Fr= 1--      0.3310                 0.0527                 0.1446
  Dep-U Fr= 1--      0.4974                 0.1001                 0.2526
 Alpha2 Fr= 1--      0.3523                 5.6004                 1.0918
 Beta2  Fr= 1--      3.1314                 4.7616                 2.9330
 AlphaG Fr= 1--     -1.3761                -0.3887                 0.3585
 Gamma2 Fr= 1--     -7.9152                -1.4575                -0.8178
 Delta2 Fr= 1--     -0.4231                 0.5800                 0.1136
 Raman1 Fr= 1--     151.102               1141.388                278.650
 ROA1   Fr= 1--    -773.394               -121.364                -74.871
 CID1   Fr= 1--      -5.118                 -0.106                 -0.269
 Raman2 Fr= 1--      37.577                 57.139                 35.196
 ROA2   Fr= 1--    -186.579                -39.620                -20.535
 CID2   Fr= 1--      -4.965                 -0.693                 -0.583
 Raman3 Fr= 1--      75.154                114.279                 70.392
 ROA3   Fr= 1--    -773.394               -121.364                -74.871
 CID3   Fr= 1--     -10.291                 -1.062                 -1.064
 RC180  Fr= 1--      -0.005                 -0.800                 -0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.08   0.01
    12   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    13   6     0.70   0.23  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.03   0.01   0.06    -0.00   0.02  -0.00    -0.01   0.99  -0.10
    15   1     0.03   0.02  -0.05    -0.00   0.00  -0.00     0.02  -0.00  -0.00
    16   1    -0.08  -0.05  -0.07     0.00   0.00  -0.00    -0.02  -0.01   0.02
    17   1     0.02   0.01  -0.04    -0.00  -0.00   0.00     0.00  -0.08   0.01
    18   8    -0.44  -0.14   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.06  -0.05  -0.44     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.00    -0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.03  -0.32   0.60     0.00   0.01  -0.01
    30   1     0.00   0.00  -0.00     0.06  -0.43  -0.51    -0.00   0.01   0.01
    31   1    -0.00  -0.00  -0.00    -0.24   0.16  -0.04     0.00  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.3508              3067.6207              3117.4061
 Red. masses --      1.0350                 1.1060                 1.1025
 Frc consts  --      5.6852                 6.1320                 6.3128
 IR Inten    --     16.6128                34.6576                15.5347
 RamAct Fr= 1--    203.5451                96.5500                37.0425
  Dep-P Fr= 1--      0.0303                 0.7499                 0.7477
  Dep-U Fr= 1--      0.0589                 0.8571                 0.8557
 Alpha2 Fr= 1--      4.2125                 0.0001                 0.0014
 Beta2  Fr= 1--      1.9977                13.7919                 5.2826
 AlphaG Fr= 1--      0.2806                -0.0498                 0.0100
 Gamma2 Fr= 1--      1.9312                -1.9729                -1.9850
 Delta2 Fr= 1--      4.2329                -1.4752                 2.2910
 Raman1 Fr= 1--     814.180                386.200                148.170
 ROA1   Fr= 1--     320.848               -236.605               -117.250
 CID1   Fr= 1--       0.394                 -0.613                 -0.791
 Raman2 Fr= 1--      23.973                165.503                 63.391
 ROA2   Fr= 1--      12.486                -35.549                -65.969
 CID2   Fr= 1--       0.521                 -0.215                 -1.041
 Raman3 Fr= 1--      47.945                331.006                126.783
 ROA3   Fr= 1--     320.848               -236.605               -117.250
 CID3   Fr= 1--       6.692                 -0.715                 -0.925
 RC180  Fr= 1--      -0.882                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     9   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.03  -0.07   0.05
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.08  -0.01
    15   1     0.45  -0.16   0.03     0.00  -0.00   0.00    -0.01  -0.02   0.01
    16   1    -0.33  -0.18   0.53    -0.00  -0.00   0.00     0.34   0.17  -0.55
    17   1     0.01   0.59  -0.05     0.00   0.00  -0.00     0.00   0.73  -0.04
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.01  -0.09    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.35   0.61     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.07   0.47   0.52     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.2042              3137.6458              3153.2692
 Red. masses --      1.1020                 1.0990                 1.0896
 Frc consts  --      6.3697                 6.3744                 6.3832
 IR Inten    --     16.3975                22.9521                10.0941
 RamAct Fr= 1--    212.5306               190.1043                58.4069
  Dep-P Fr= 1--      0.4769                 0.4469                 0.3014
  Dep-U Fr= 1--      0.6458                 0.6177                 0.4632
 Alpha2 Fr= 1--      1.1642                 1.1799                 0.5966
 Beta2  Fr= 1--     22.8771                19.5726                 4.5088
 AlphaG Fr= 1--      0.0283                 0.0775                 0.1047
 Gamma2 Fr= 1--     -0.8186                -0.1367                 1.2051
 Delta2 Fr= 1--     -8.2297                 0.5691                -0.7621
 Raman1 Fr= 1--     850.123                760.417                233.628
 ROA1   Fr= 1--    -341.933                  5.088                 91.297
 CID1   Fr= 1--      -0.402                  0.007                  0.391
 Raman2 Fr= 1--     274.526                234.871                 54.106
 ROA2   Fr= 1--      46.192                 -7.834                 35.018
 CID2   Fr= 1--       0.168                 -0.033                  0.647
 Raman3 Fr= 1--     549.051                469.743                108.212
 ROA3   Fr= 1--    -341.933                  5.088                 91.297
 CID3   Fr= 1--      -0.623                  0.011                  0.844
 RC180  Fr= 1--       0.292                  0.235                 -0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.08   0.01
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.21   0.96  -0.13
     9   1     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.08   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.00  -0.03   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    15   1     0.83  -0.28   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    16   1     0.17   0.10  -0.29    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.02  -0.31   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.09   0.01
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.01  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.08   0.17     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.01  -0.11  -0.15    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.79  -0.53   0.12     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3168.1672              3171.5869              3184.7926
 Red. masses --      1.0863                 1.0891                 1.0946
 Frc consts  --      6.4244                 6.4544                 6.5415
 IR Inten    --      2.6340                 9.2922                 8.8359
 RamAct Fr= 1--     58.5137                86.9273               103.8398
  Dep-P Fr= 1--      0.7488                 0.4351                 0.2286
  Dep-U Fr= 1--      0.8564                 0.6064                 0.3722
 Alpha2 Fr= 1--      0.0012                 0.5651                 1.3055
 Beta2  Fr= 1--      8.3515                 8.7854                 6.4414
 AlphaG Fr= 1--     -0.0092                -0.0397                -0.2747
 Gamma2 Fr= 1--      0.4973                -1.4252                 1.3423
 Delta2 Fr= 1--     -1.1263                -0.0610                 2.1787
 Raman1 Fr= 1--     234.055                347.709                415.359
 ROA1   Fr= 1--      11.695               -138.772                198.575
 CID1   Fr= 1--       0.050                 -0.399                  0.478
 Raman2 Fr= 1--     100.218                105.425                 77.297
 ROA2   Fr= 1--      20.945                -33.718                 14.785
 CID2   Fr= 1--       0.209                 -0.320                  0.191
 Raman3 Fr= 1--     200.436                210.850                154.595
 ROA3   Fr= 1--      11.695               -138.772                198.575
 CID3   Fr= 1--       0.058                 -0.658                  1.284
 RC180  Fr= 1--       0.713                  0.213                 -0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.04   0.04  -0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.00
     6   6     0.01  -0.06   0.01     0.00   0.00  -0.00     0.02  -0.06   0.01
     7   6     0.00  -0.00   0.00     0.02  -0.08   0.01     0.00  -0.00   0.00
     8   1     0.00  -0.02   0.00    -0.02   0.09  -0.01     0.00  -0.02   0.00
     9   1    -0.50  -0.47   0.01     0.01   0.01  -0.00     0.51   0.47  -0.01
    10   1    -0.15   0.70  -0.09     0.00  -0.01   0.00    -0.14   0.63  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
    17   1    -0.00  -0.04   0.00     0.00   0.00  -0.00     0.00   0.03  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.01   0.02  -0.00    -0.21   0.94  -0.12    -0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00    -0.13  -0.13   0.00     0.00   0.00  -0.00
    28   1     0.01  -0.05   0.01    -0.01   0.05  -0.01     0.06  -0.28   0.03
    29   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9315              3215.8617              3706.0682
 Red. masses --      1.0906                 1.0912                 1.0652
 Frc consts  --      6.5346                 6.6488                 8.6202
 IR Inten    --      6.1071                 6.8297               137.0503
 RamAct Fr= 1--    176.2197               141.3941               221.8794
  Dep-P Fr= 1--      0.2230                 0.2490                 0.2457
  Dep-U Fr= 1--      0.3646                 0.3987                 0.3944
 Alpha2 Fr= 1--      2.2502                 1.6806                 2.6617
 Beta2  Fr= 1--     10.7087                 9.3955                14.5860
 AlphaG Fr= 1--      0.0116                -0.1129                -5.5912
 Gamma2 Fr= 1--      0.6283                -1.2819               -52.8376
 Delta2 Fr= 1--      0.8641                -0.4786                -6.6652
 Raman1 Fr= 1--     704.879                565.576                887.518
 ROA1   Fr= 1--      87.968               -138.379              -5285.698
 CID1   Fr= 1--       0.125                 -0.245                 -5.956
 Raman2 Fr= 1--     128.505                112.746                175.032
 ROA2   Fr= 1--       8.167                -26.936              -1214.782
 CID2   Fr= 1--       0.064                 -0.239                 -6.940
 Raman3 Fr= 1--     257.009                225.492                350.064
 ROA3   Fr= 1--      87.968               -138.379              -5285.698
 CID3   Fr= 1--       0.342                 -0.614                -15.099
 RC180  Fr= 1--      -0.271                 -0.203                 -0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00   0.00   0.00
     8   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
     9   1     0.12   0.11  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.05   0.23  -0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.01   0.01
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.96   0.21  -0.16
    21   6    -0.00   0.00  -0.00    -0.06  -0.06   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.02  -0.08   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.01    -0.04   0.18  -0.02    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.71   0.67  -0.01     0.00   0.00   0.00
    28   1    -0.22   0.92  -0.12    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1185.959109179.664469369.68965
           X            0.99992   0.00546   0.01120
           Y           -0.00526   0.99984  -0.01704
           Z           -0.01129   0.01698   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07303     0.00944     0.00924
 Rotational constants (GHZ):           1.52176     0.19660     0.19261
 Zero-point vibrational energy     657707.9 (Joules/Mol)
                                  157.19597 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.84    60.54    72.38   107.20   179.97
          (Kelvin)            201.53   263.24   298.08   302.44   337.36
                              350.93   399.18   443.07   500.58   571.37
                              600.96   653.72   699.32   711.20   737.14
                              774.84   816.67   841.61   862.92   916.71
                              985.39  1003.11  1076.12  1120.80  1137.42
                             1167.55  1179.46  1199.07  1235.93  1292.72
                             1310.10  1349.19  1364.40  1407.58  1411.96
                             1454.92  1539.21  1565.82  1588.22  1677.56
                             1687.03  1693.91  1704.81  1710.79  1727.67
                             1746.63  1841.80  1847.69  1865.01  1880.13
                             1885.36  1928.73  1989.95  2017.46  2037.56
                             2043.35  2096.04  2129.49  2146.74  2152.52
                             2155.23  2167.34  2194.62  2226.72  2314.97
                             2379.58  2412.45  2644.58  4331.63  4338.31
                             4393.09  4413.62  4485.25  4506.54  4514.37
                             4536.85  4558.29  4563.21  4582.21  4588.16
                             4626.91  5332.21
 
 Zero-point correction=                           0.250508 (Hartree/Particle)
 Thermal correction to Energy=                    0.265772
 Thermal correction to Enthalpy=                  0.266717
 Thermal correction to Gibbs Free Energy=         0.206904
 Sum of electronic and zero-point Energies=           -767.720606
 Sum of electronic and thermal Energies=              -767.705341
 Sum of electronic and thermal Enthalpies=            -767.704397
 Sum of electronic and thermal Free Energies=         -767.764209
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.775             58.746            125.886
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.989
 Vibrational            164.997             52.785             50.695
 Vibration     1          0.593              1.984              5.988
 Vibration     2          0.595              1.980              5.159
 Vibration     3          0.595              1.977              4.805
 Vibration     4          0.599              1.966              4.030
 Vibration     5          0.610              1.928              3.020
 Vibration     6          0.615              1.913              2.803
 Vibration     7          0.630              1.863              2.298
 Vibration     8          0.641              1.830              2.068
 Vibration     9          0.642              1.825              2.042
 Vibration    10          0.654              1.788              1.844
 Vibration    11          0.659              1.773              1.774
 Vibration    12          0.678              1.715              1.549
 Vibration    13          0.698              1.659              1.373
 Vibration    14          0.726              1.579              1.176
 Vibration    15          0.764              1.476              0.973
 Vibration    16          0.781              1.432              0.900
 Vibration    17          0.813              1.351              0.783
 Vibration    18          0.842              1.281              0.694
 Vibration    19          0.850              1.263              0.672
 Vibration    20          0.867              1.223              0.628
 Vibration    21          0.894              1.165              0.568
 Vibration    22          0.924              1.101              0.509
 Vibration    23          0.942              1.064              0.476
 Vibration    24          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.677139D-95        -95.169322       -219.135462
 Total V=0       0.113797D+21         20.056130         46.180945
 Vib (Bot)       0.136524-109       -109.864791       -252.973030
 Vib (Bot)    1  0.747798D+01          0.873784          2.011963
 Vib (Bot)    2  0.491640D+01          0.691648          1.592577
 Vib (Bot)    3  0.410895D+01          0.613730          1.413167
 Vib (Bot)    4  0.276620D+01          0.441884          1.017475
 Vib (Bot)    5  0.163177D+01          0.212660          0.489667
 Vib (Bot)    6  0.145167D+01          0.161867          0.372711
 Vib (Bot)    7  0.109665D+01          0.040070          0.092264
 Vib (Bot)    8  0.959754D+00         -0.017840         -0.041079
 Vib (Bot)    9  0.944777D+00         -0.024671         -0.056806
 Vib (Bot)   10  0.838335D+00         -0.076582         -0.176338
 Vib (Bot)   11  0.802470D+00         -0.095571         -0.220061
 Vib (Bot)   12  0.693899D+00         -0.158704         -0.365430
 Vib (Bot)   13  0.614771D+00         -0.211287         -0.486505
 Vib (Bot)   14  0.531006D+00         -0.274901         -0.632982
 Vib (Bot)   15  0.449761D+00         -0.347018         -0.799039
 Vib (Bot)   16  0.421126D+00         -0.375588         -0.864822
 Vib (Bot)   17  0.376090D+00         -0.424709         -0.977928
 Vib (Bot)   18  0.342301D+00         -0.465591         -1.072063
 Vib (Bot)   19  0.334163D+00         -0.476042         -1.096127
 Vib (Bot)   20  0.317258D+00         -0.498588         -1.148041
 Vib (Bot)   21  0.294600D+00         -0.530767         -1.222135
 Vib (Bot)   22  0.271782D+00         -0.565779         -1.302754
 Vib (Bot)   23  0.259215D+00         -0.586341         -1.350099
 Vib (Bot)   24  0.249026D+00         -0.603756         -1.390198
 Vib (V=0)       0.229435D+06          5.360661         12.343377
 Vib (V=0)    1  0.799468D+01          0.902801          2.078776
 Vib (V=0)    2  0.544176D+01          0.735740          1.694103
 Vib (V=0)    3  0.463926D+01          0.666448          1.534554
 Vib (V=0)    4  0.331103D+01          0.519963          1.197258
 Vib (V=0)    5  0.220666D+01          0.343735          0.791479
 Vib (V=0)    6  0.203536D+01          0.308641          0.710673
 Vib (V=0)    7  0.170526D+01          0.231790          0.533717
 Vib (V=0)    8  0.158219D+01          0.199258          0.458808
 Vib (V=0)    9  0.156893D+01          0.195603          0.450392
 Vib (V=0)   10  0.147612D+01          0.169121          0.389415
 Vib (V=0)   11  0.144549D+01          0.160016          0.368451
 Vib (V=0)   12  0.135527D+01          0.132027          0.304004
 Vib (V=0)   13  0.129243D+01          0.111407          0.256523
 Vib (V=0)   14  0.122936D+01          0.089679          0.206494
 Vib (V=0)   15  0.117252D+01          0.069121          0.159156
 Vib (V=0)   16  0.115372D+01          0.062100          0.142990
 Vib (V=0)   17  0.112565D+01          0.051405          0.118365
 Vib (V=0)   18  0.110595D+01          0.043734          0.100701
 Vib (V=0)   19  0.110139D+01          0.041939          0.096569
 Vib (V=0)   20  0.109216D+01          0.038286          0.088157
 Vib (V=0)   21  0.108034D+01          0.033559          0.077272
 Vib (V=0)   22  0.106909D+01          0.029015          0.066810
 Vib (V=0)   23  0.106320D+01          0.026614          0.061282
 Vib (V=0)   24  0.105858D+01          0.024725          0.056930
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.361540D+07          6.558156         15.100713
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3          3333333333333                              111111111111111111111111111111111                                        
      7          2111111110000                              866655544444444333322222111111000999998888877766665555444433322222111    
      0          1887653316511                              3750420999852108410988108877608718743195321974983086319851940743108427542
      6          6952838278351                              8749856862070623107640419573648011888189301198757058924648788744073055028
 
      X          XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X                   X  X                              XXX X X         XXX  X  XXX    X                  X                      
      X                      X                              XXX X           XXX       X    X                  X                      
      X                                                     X X X           XXX                                                      
      X                                                     X X             XXX                                                      
      X                                                     X               XXX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000357    0.000002268   -0.000000024
      2        6           0.000000958    0.000000033   -0.000000179
      3        6           0.000000743    0.000001229    0.000000793
      4        6          -0.000000182   -0.000006096    0.000001894
      5        6           0.000000037    0.000003236   -0.000000659
      6        6           0.000001150    0.000000128   -0.000000464
      7        6          -0.000001118   -0.000000544    0.000001368
      8        1          -0.000000469   -0.000000381    0.000000168
      9        1           0.000000477   -0.000001067    0.000000353
     10        1           0.000000568   -0.000000993   -0.000000839
     11        6          -0.000002177    0.000000170   -0.000010608
     12        6          -0.000002074    0.000002703    0.000003927
     13        6           0.000004692    0.000001380    0.000016910
     14        1           0.000001650   -0.000001079    0.000001084
     15        1          -0.000000011   -0.000001231    0.000001029
     16        1           0.000000156   -0.000000097   -0.000000240
     17        1           0.000001312   -0.000000156   -0.000000323
     18        8          -0.000004776   -0.000003094   -0.000001512
     19        8          -0.000002928   -0.000003063   -0.000009739
     20        1           0.000001096    0.000000087    0.000001754
     21        6           0.000001706   -0.000000947    0.000000705
     22        6          -0.000001250    0.000001189   -0.000002346
     23        6           0.000000458   -0.000000928   -0.000000303
     24        8           0.000002398    0.000002614    0.000001941
     25        6          -0.000004462   -0.000001212   -0.000001627
     26        1           0.000000005    0.000000584   -0.000000195
     27        1           0.000001585    0.000001369   -0.000000246
     28        1           0.000000682   -0.000000217   -0.000000979
     29        1          -0.000000366    0.000001878   -0.000000565
     30        1           0.000000161    0.000001186   -0.000000153
     31        1           0.000000339    0.000001054   -0.000000924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016910 RMS     0.000002846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.328222D+03  0.162714D+02  0.121978D+02
      2   0.162714D+02  0.172983D+03 -0.382498D+01
      3   0.121978D+02 -0.382498D+01  0.123657D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.973223D+01  0.281194D+02  0.802511D+01
      2  -0.519358D+02  0.101237D+02  0.282145D+02
      3   0.106231D+02  0.619150D+02 -0.730615D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.377304D+03 -0.146895D+02 -0.499194D+02
      2   0.153276D+03  0.183263D+02 -0.519171D+01
      3   0.224029D+03 -0.363683D+01  0.551111D+02
      4  -0.247903D+02 -0.153677D+03  0.233422D+02
      5   0.303307D+02  0.220965D+02  0.668628D+02
      6   0.608712D+01  0.466064D+02 -0.263438D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.435076D+02  0.875472D+01  0.144840D+01 -0.487294D+02 -0.431369D+01
      2   0.875472D+01  0.360490D+01  0.305381D+00 -0.431369D+01 -0.528041D+01
      3   0.144840D+01  0.305381D+00 -0.347772D+00 -0.269703D+01  0.163912D+00
                 6             7             8             9            10 
      1  -0.269703D+01  0.813260D+01  0.129326D+01  0.187083D+01 -0.341500D+02
      2   0.163912D+00  0.129326D+01  0.657442D+00 -0.111852D+01 -0.787608D+01
      3   0.185889D+00  0.187083D+01 -0.111852D+01  0.371658D+00 -0.951061D+00
                11            12            13            14            15 
      1  -0.787608D+01 -0.951061D+00  0.523338D+02  0.519929D+01  0.311603D+01
      2  -0.579396D+00 -0.350377D+00  0.519929D+01  0.624283D+01 -0.116095D+00
      3  -0.350377D+00 -0.954972D-02  0.311603D+01 -0.116095D+00 -0.399330D+00
                16            17            18            19            20 
      1  -0.850717D+01 -0.130022D+01 -0.872088D+00 -0.597182D+02 -0.109936D+02
      2  -0.130022D+01 -0.552292D+00  0.101218D+01 -0.109936D+02 -0.980787D+01
      3  -0.872088D+00  0.101218D+01 -0.124420D+00 -0.125274D+01  0.355908D+00
                21            22            23            24            25 
      1  -0.125274D+01 -0.199353D+02 -0.239919D+01  0.344137D+00 -0.285453D+01
      2   0.355908D+00 -0.239919D+01 -0.477528D+01 -0.597253D+00  0.265494D+00
      3  -0.746954D+00  0.344137D+00 -0.597253D+00 -0.240834D+01  0.120385D+01
                26            27            28            29            30 
      1   0.265494D+00  0.120385D+01  0.614813D+02  0.475126D+01  0.109408D+01
      2  -0.120463D+01 -0.376714D+01  0.475126D+01  0.658542D+01 -0.377605D-01
      3  -0.376714D+01  0.129015D+01  0.109408D+01 -0.377605D-01  0.261385D+01
                31            32            33            34            35 
      1   0.152494D+01  0.469064D+01  0.407948D+00  0.120699D+01  0.800023D+00
      2   0.469064D+01  0.148060D+02 -0.700543D+00  0.800023D+00 -0.268457D+00
      3   0.407948D+00 -0.700543D+00  0.531302D+00  0.688648D+01  0.581109D+00
                36            37            38            39            40 
      1   0.688648D+01  0.723315D+01 -0.810300D+00  0.354951D+00  0.131515D+02
      2   0.581109D+00 -0.810300D+00  0.135502D+02 -0.998951D+00  0.140151D+00
      3   0.742547D+00  0.354951D+00 -0.998951D+00  0.243837D+01  0.657589D+00
                41            42            43            44            45 
      1   0.140151D+00  0.657589D+00 -0.417193D+00  0.214254D+00  0.450746D+01
      2  -0.909326D+01  0.118032D+01  0.214254D+00  0.262094D+01  0.182226D+01
      3   0.118032D+01  0.101913D+01  0.450746D+01  0.182226D+01  0.674863D+00
                46            47            48            49            50 
      1  -0.936839D+01  0.272067D+01 -0.138013D+01  0.346360D+01  0.374443D+01
      2   0.272067D+01 -0.955519D+01  0.216720D+00  0.374443D+01  0.109778D+01
      3  -0.138013D+01  0.216720D+00 -0.151783D+01 -0.279336D+00  0.936685D+00
                51            52            53            54            55 
      1  -0.279336D+00 -0.103097D+01 -0.720213D+00 -0.633376D+00  0.467587D+00
      2   0.936685D+00 -0.720213D+00  0.113278D+00  0.462806D+01 -0.312029D+01
      3   0.180348D+01 -0.633376D+00  0.462806D+01 -0.119611D+01  0.442857D+00
                56            57            58            59            60 
      1  -0.312029D+01  0.442857D+00 -0.492834D+01 -0.465635D+01  0.359833D+00
      2   0.660055D+01 -0.452240D+00 -0.465635D+01 -0.249643D+01 -0.721409D+00
      3  -0.452240D+00  0.222082D+01  0.359833D+00 -0.721409D+00 -0.174723D+01
                61            62            63            64            65 
      1   0.803805D+00  0.556365D+00 -0.471184D+00  0.336258D+00 -0.202323D+01
      2   0.556365D+00 -0.813784D-01 -0.437030D+01 -0.202323D+01  0.106734D+01
      3  -0.471184D+00 -0.437030D+01  0.145515D+01  0.305212D+00 -0.279365D+00
                66            67            68            69            70 
      1   0.305212D+00 -0.200926D+01  0.278613D+01 -0.508768D+00  0.530298D+00
      2  -0.279365D+00  0.278613D+01 -0.781468D+01  0.114606D+01 -0.532011D+00
      3   0.123892D+00 -0.508768D+00  0.114606D+01 -0.853926D+00 -0.664397D-01
                71            72            73            74            75 
      1  -0.532011D+00 -0.664397D-01  0.713656D+01  0.328468D+01  0.304792D+00
      2   0.100605D+01 -0.258547D+00  0.328468D+01  0.279284D+01 -0.189459D-01
      3  -0.258547D+00  0.185321D+00  0.304792D+00 -0.189459D-01  0.490915D+00
                76            77            78            79            80 
      1   0.451088D+01  0.424088D+01 -0.122634D+00  0.275285D+00 -0.370819D+00
      2   0.424088D+01  0.420041D+01 -0.963944D-02 -0.370819D+00 -0.251824D+00
      3  -0.122634D+00 -0.963944D-02  0.544430D+00 -0.353321D+00  0.281005D+00
                81            82            83            84            85 
      1  -0.353321D+00 -0.499792D+00  0.140787D+01 -0.197071D+00  0.521766D+00
      2   0.281005D+00  0.140787D+01 -0.164006D+01  0.266725D+00 -0.656589D+00
      3  -0.183505D+00 -0.197071D+00  0.266725D+00 -0.107534D+00  0.406130D-01
                86            87            88            89            90 
      1  -0.656589D+00  0.406130D-01 -0.222164D+00  0.229499D+00  0.849946D-01
      2   0.111127D+02 -0.108418D+01  0.229499D+00 -0.134901D+01  0.209991D+00
      3  -0.108418D+01  0.921823D+00  0.849946D-01  0.209991D+00 -0.138520D+00
                91            92            93            94            95 
      1  -0.239061D+02 -0.201213D+01 -0.607949D-01 -0.558369D+00 -0.231447D+00
      2  -0.201213D+01  0.335131D+00 -0.621629D+00 -0.231447D+00  0.502397D+01
      3  -0.607949D-01 -0.621629D+00 -0.379149D+01 -0.243032D+01 -0.767686D+00
                96            97            98            99           100 
      1  -0.243032D+01  0.155660D+01 -0.141504D+01 -0.869530D+01 -0.663315D+01
      2  -0.767686D+00 -0.141504D+01 -0.502924D+00 -0.950792D+00  0.283578D+01
      3  -0.106384D+01 -0.869530D+01 -0.950792D+00  0.368642D+00 -0.189210D+01
               101           102           103           104           105 
      1   0.283578D+01 -0.189210D+01  0.891346D+01 -0.135776D+00  0.197999D+01
      2  -0.542780D+00  0.317620D+00 -0.135776D+00 -0.477339D+01 -0.941502D-01
      3   0.317620D+00  0.387348D+01  0.197999D+01 -0.941502D-01  0.288308D+01
               106           107           108           109           110 
      1   0.509400D+01  0.117076D+01  0.602085D+01 -0.792543D+01 -0.174326D+01
      2   0.117076D+01  0.640790D+00  0.201482D+01 -0.174326D+01 -0.339746D+00
      3   0.602085D+01  0.201482D+01 -0.441270D+00  0.945563D+00  0.644053D+00
               111           112           113           114           115 
      1   0.945563D+00 -0.301718D+01 -0.132664D+00  0.166491D+01 -0.121131D+02
      2   0.644053D+00 -0.132664D+00 -0.916651D+00 -0.712642D-01  0.363182D+00
      3   0.171766D+01  0.166491D+01 -0.712642D-01  0.682717D+00  0.563306D+01
               116           117           118           119           120 
      1   0.363182D+00  0.563306D+01 -0.158199D+01 -0.990644D+00  0.102382D+00
      2  -0.110154D+01  0.425053D+00 -0.990644D+00  0.423832D+00 -0.149271D-01
      3   0.425053D+00 -0.104933D+01  0.102382D+00 -0.149271D-01  0.743180D+00
               121           122           123           124           125 
      1  -0.291545D+01  0.185218D+01 -0.118681D+00 -0.465183D+00 -0.103342D+00
      2   0.185218D+01 -0.667833D+01  0.866105D+00 -0.103342D+00  0.744090D+00
      3  -0.118681D+00  0.866105D+00 -0.154771D+01  0.119431D+01 -0.986912D+00
               126           127           128           129           130 
      1   0.119431D+01  0.161584D+02 -0.162421D+01  0.388938D+01 -0.433271D+01
      2  -0.986912D+00 -0.162421D+01  0.125241D+01 -0.259742D+00  0.170691D+01
      3   0.742729D+00  0.388938D+01 -0.259742D+00  0.223459D+01 -0.133113D+01
               131           132           133           134           135 
      1   0.170691D+01 -0.133113D+01  0.132082D+01 -0.347123D+00  0.127930D+01
      2  -0.528719D+00  0.459954D+00 -0.347123D+00 -0.526871D-01 -0.467353D+00
      3   0.459954D+00 -0.117732D+01  0.127930D+01 -0.467353D+00  0.741877D+00
               136           137           138           139           140 
      1  -0.470731D+00 -0.401587D+00  0.961125D+00 -0.120857D+01  0.703774D-01
      2  -0.401587D+00 -0.459638D+00  0.175962D+00  0.703774D-01 -0.146279D+00
      3   0.961125D+00  0.175962D+00 -0.343688D+01 -0.262272D+00  0.115048D+01
               141           142           143           144           145 
      1  -0.262272D+00  0.392946D+00 -0.953717D-01 -0.481274D+00  0.107760D+01
      2   0.115048D+01 -0.953717D-01  0.977115D+00 -0.866853D+00  0.765222D+00
      3  -0.196622D+01 -0.481274D+00 -0.866853D+00  0.764679D+01  0.132884D+00
               146           147           148           149           150 
      1   0.765222D+00  0.132884D+00  0.255909D+01  0.127649D+01  0.970599D+00
      2   0.509954D+00  0.422567D-01  0.127649D+01  0.642279D+01  0.115212D+01
      3   0.422567D-01 -0.378796D+00  0.970599D+00  0.115212D+01  0.175962D+01
               151           152           153           154           155 
      1  -0.390295D+00  0.906532D-01 -0.216631D+00  0.217714D+02  0.229545D+01
      2   0.906532D-01  0.331803D-01  0.614905D+00  0.229545D+01  0.165671D+01
      3  -0.216631D+00  0.614905D+00  0.364171D+00 -0.173795D+01 -0.146585D+00
               156           157           158           159           160 
      1  -0.173795D+01  0.527174D+01  0.424488D+01 -0.842905D+00 -0.220199D+01
      2  -0.146585D+00  0.424488D+01  0.213570D+01 -0.345889D+00 -0.472225D+00
      3   0.279851D+01 -0.842905D+00 -0.345889D+00  0.745207D+00  0.254990D+01
               161           162           163           164           165 
      1  -0.472225D+00  0.254990D+01  0.164204D+02 -0.742293D-02 -0.483802D+01
      2   0.353520D+00  0.639705D+00 -0.742293D-02  0.993256D-01  0.562633D+00
      3   0.639705D+00 -0.377786D-02 -0.483802D+01  0.562633D+00  0.117122D+01
               166           167           168           169           170 
      1   0.351556D+01 -0.362738D-01 -0.597823D+00 -0.861686D+00  0.762341D+00
      2  -0.362738D-01 -0.648287D+00 -0.149765D+01  0.762341D+00 -0.564868D+00
      3  -0.597823D+00 -0.149765D+01 -0.832201D-01  0.683741D+00 -0.100384D+01
               171           172           173           174           175 
      1   0.683741D+00 -0.124053D+02  0.207950D+00  0.260798D+01 -0.152167D+01
      2  -0.100384D+01  0.207950D+00 -0.353863D+00 -0.825309D+00  0.272344D+00
      3  -0.748459D+01  0.260798D+01 -0.825309D+00 -0.320192D+01  0.164225D+00
               176           177           178           179           180 
      1   0.272344D+00  0.164225D+00  0.758504D+01 -0.634050D+00 -0.265349D+01
      2  -0.863053D+00 -0.875468D+00 -0.634050D+00 -0.105934D+01  0.475542D-01
      3  -0.875468D+00 -0.731018D+00 -0.265349D+01  0.475542D-01 -0.392924D+00
               181           182           183           184           185 
      1  -0.629501D+01 -0.252300D+00  0.117547D+00 -0.166446D+02 -0.115203D+01
      2  -0.252300D+00 -0.113174D+02  0.130643D+01 -0.115203D+01  0.584526D+01
      3   0.117547D+00  0.130643D+01 -0.291710D+01 -0.152737D+01 -0.137763D+01
               186           187           188           189           190 
      1  -0.152737D+01  0.210907D+01 -0.167190D+00 -0.437910D+01 -0.396356D+02
      2  -0.137763D+01 -0.167190D+00 -0.216307D+01 -0.250721D+01 -0.545067D+01
      3  -0.140753D+01 -0.437910D+01 -0.250721D+01 -0.194232D+00 -0.117835D+01
               191           192           193           194           195 
      1  -0.545067D+01 -0.117835D+01  0.929143D+00 -0.418405D+01 -0.844275D-01
      2  -0.108463D+02  0.391215D+00 -0.418405D+01 -0.121061D+02  0.135019D+01
      3   0.391215D+00 -0.408346D+01 -0.844275D-01  0.135019D+01  0.504727D+00
               196           197           198           199           200 
      1  -0.208936D+01 -0.799417D+00 -0.773155D+01  0.436574D+02  0.107406D+02
      2  -0.799417D+00  0.307333D+00 -0.479321D+00  0.107406D+02  0.779934D+01
      3  -0.773155D+01 -0.479321D+00 -0.143651D+01  0.149701D+01 -0.603232D+00
               201           202           203           204           205 
      1   0.149701D+01  0.161511D+02  0.307536D+01  0.548880D+00  0.196539D+01
      2  -0.603232D+00  0.307536D+01  0.559183D+01  0.378345D+00  0.976491D-01
      3   0.768941D+00  0.548880D+00  0.378345D+00  0.256431D+01 -0.214081D+00
               206           207           208           209           210 
      1   0.976491D-01 -0.214081D+00  0.807686D+01  0.399951D+01  0.240413D+00
      2   0.110638D+01  0.469061D+01  0.399951D+01  0.405328D+01 -0.983611D-01
      3   0.469061D+01 -0.130550D+01  0.240413D+00 -0.983611D-01  0.199387D+00
               211           212           213           214           215 
      1  -0.466342D+01 -0.401505D+01  0.191461D+00  0.113112D+01  0.723615D+00
      2  -0.401505D+01  0.107953D+01 -0.522990D+00  0.723615D+00  0.374119D+00
      3   0.191461D+00 -0.522990D+00 -0.139909D+01  0.217578D+00  0.758257D+00
               216           217           218           219           220 
      1   0.217578D+00 -0.258549D+01 -0.477422D+01 -0.675749D-01 -0.153566D+01
      2   0.758257D+00 -0.477422D+01 -0.801184D+00 -0.625839D+00  0.376117D+01
      3   0.410048D-01 -0.675749D-01 -0.625839D+00  0.969579D+00 -0.763638D+00
               221           222           223           224           225 
      1   0.376117D+01 -0.763638D+00 -0.656461D+00 -0.814928D+00  0.370565D+01
      2   0.126322D+01  0.134283D+01 -0.814928D+00  0.834116D+00  0.461658D+01
      3   0.134283D+01  0.639395D+01  0.370565D+01  0.461658D+01 -0.110291D+01
               226           227           228           229           230 
      1   0.407072D-01 -0.138199D+01  0.161244D+00 -0.210768D+00  0.575992D-01
      2  -0.138199D+01  0.159084D+01 -0.286042D+00  0.575992D-01 -0.105347D+02
      3   0.161244D+00 -0.286042D+00  0.951744D-01  0.280948D-01  0.111666D+01
               231           232           233           234           235 
      1   0.280948D-01 -0.121455D-01 -0.115195D+00 -0.478987D-01 -0.789384D+01
      2   0.111666D+01 -0.115195D+00  0.124951D+01 -0.205346D+00 -0.347528D+01
      3  -0.890499D+00 -0.478987D-01 -0.205346D+00  0.114460D+00 -0.246576D+00
               236           237           238           239           240 
      1  -0.347528D+01 -0.246576D+00 -0.514934D+01 -0.438043D+01  0.182320D+00
      2  -0.271403D+01  0.186733D-01 -0.438043D+01 -0.421032D+01  0.696410D-01
      3   0.186733D-01 -0.262237D+00  0.182320D+00  0.696410D-01 -0.444395D+00
               241           242           243           244           245 
      1  -0.203498D+00  0.256546D+00  0.481363D+00 -0.705883D+00  0.221754D+01
      2   0.256546D+00  0.214364D+00 -0.832460D-01  0.221754D+01 -0.175035D+01
      3   0.481363D+00 -0.832460D-01  0.148076D+00 -0.253673D+00  0.325185D+00
               246           247           248           249           250 
      1  -0.253673D+00  0.272683D+01 -0.347737D+01  0.471606D+00 -0.302245D+00
      2   0.325185D+00 -0.347737D+01  0.901286D+01 -0.109963D+01  0.534898D+00
      3  -0.290944D+00  0.471606D+00 -0.109963D+01  0.972148D+00 -0.234479D+00
               251           252           253           254           255 
      1   0.534898D+00 -0.234479D+00 -0.737432D+00 -0.277028D+00  0.161708D+01
      2  -0.109214D+01  0.197174D+00 -0.277028D+00 -0.256666D-02  0.495341D+00
      3   0.197174D+00 -0.147949D+00  0.161708D+01  0.495341D+00 -0.415374D+00
               256           257           258           259           260 
      1  -0.248612D+01 -0.209591D+01  0.163349D+01  0.629653D+01  0.178304D+01
      2  -0.209591D+01 -0.188112D+01  0.157025D+01  0.178304D+01  0.170792D+01
      3   0.163349D+01  0.157025D+01 -0.258370D+01 -0.401173D+01 -0.251140D+01
               261           262           263           264           265 
      1  -0.401173D+01  0.578395D+00 -0.210377D+00 -0.952362D+00 -0.304681D+01
      2  -0.251140D+01 -0.210377D+00  0.195457D+00 -0.123934D+00 -0.249276D+01
      3   0.539881D+01 -0.952362D+00 -0.123934D+00  0.152774D+00 -0.185418D+01
               266           267           268           269           270 
      1  -0.249276D+01 -0.185418D+01 -0.444665D+01 -0.165778D+01 -0.343933D+01
      2  -0.319539D+01 -0.260211D+01 -0.165778D+01 -0.235460D+01 -0.301821D+01
      3  -0.260211D+01 -0.330322D+01 -0.343933D+01 -0.301821D+01 -0.468037D+01
               271           272           273           274           275 
      1  -0.134314D+02  0.344329D+01 -0.121450D+01  0.731951D+01 -0.275923D+01
      2   0.344329D+01 -0.140721D+01  0.319139D+00 -0.275923D+01  0.210753D+01
      3  -0.121450D+01  0.319139D+00 -0.110450D+01  0.658794D+00 -0.399968D+00
               276           277           278           279 
      1   0.658794D+00 -0.162587D+01  0.403339D+00 -0.181811D+01
      2  -0.399968D+00  0.403339D+00 -0.341405D+00  0.557078D-01
      3   0.494778D+00 -0.181811D+01  0.557078D-01 -0.404336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.975148D+00 -0.379103D+01  0.136883D+00 -0.323534D+01 -0.212333D+01
      2  -0.127552D+02  0.404235D+01  0.999351D-01  0.147699D+02  0.292354D+01
      3  -0.731282D+01  0.465157D+02 -0.575024D+01  0.450985D+02  0.232476D+02
                 6             7             8             9            10 
      1   0.799445D-01  0.414515D+01  0.641822D+01 -0.602841D+00 -0.189766D+01
      2  -0.190984D+00 -0.223694D+02 -0.253219D+01 -0.160592D+01  0.160397D+02
      3   0.564775D-01 -0.123701D+01  0.187710D+01 -0.213795D+01  0.241479D+02
                11            12            13            14            15 
      1  -0.500537D+01 -0.300157D+00 -0.452506D+01  0.474275D+00  0.634305D+00
      2   0.784123D+01 -0.535415D+01 -0.823361D+01  0.132755D+01  0.133808D+00
      3   0.544530D+02 -0.395594D+01  0.634881D+02  0.187911D+02  0.274842D+01
                16            17            18            19            20 
      1   0.326844D+01  0.623424D+01 -0.542417D+00 -0.173548D+01  0.754778D+00
      2  -0.222570D+02 -0.542991D+00 -0.181018D+01  0.233890D+02 -0.369663D+00
      3  -0.137008D+01  0.301157D+01  0.127259D+01  0.237789D+02 -0.340816D+02
                21            22            23            24            25 
      1  -0.114882D+01  0.189784D+01 -0.233423D+01 -0.344211D+01  0.485375D+01
      2  -0.109968D+01  0.656095D+01  0.950143D+00 -0.258787D+01 -0.186618D+02
      3   0.570495D+01  0.110622D+02  0.513150D+01  0.517486D+00  0.140776D+01
                26            27            28            29            30 
      1  -0.839243D+00 -0.130782D+01 -0.305163D+01 -0.860676D+00  0.534721D+00
      2  -0.783347D+01  0.502472D+00 -0.229293D+02 -0.883075D+00  0.197477D+01
      3  -0.212485D+01  0.465265D+01  0.456785D+00  0.879840D+01 -0.166155D+01
                31            32            33            34            35 
      1  -0.498758D+01  0.609943D+01  0.215809D+01  0.258630D+01  0.151024D+02
      2   0.268799D+01 -0.176050D+01  0.209157D+01 -0.188136D+02 -0.240768D+01
      3   0.324849D+02  0.419417D+01 -0.120920D+01  0.353213D+00  0.146693D+01
                36            37            38            39            40 
      1  -0.112927D+01 -0.126383D+01  0.190902D+01 -0.585202D+01 -0.942765D+00
      2  -0.177189D+01  0.359823D+01  0.215507D+00  0.331701D+01 -0.833555D+01
      3  -0.201905D+01  0.349579D+02  0.139337D+01  0.660226D+00 -0.120581D+02
                41            42            43            44            45 
      1  -0.222281D+01  0.116943D+00 -0.162937D+02  0.973776D+01 -0.239793D+01
      2   0.178978D+01  0.657562D+00 -0.759379D+01  0.681903D+01 -0.135740D+01
      3   0.516973D+01  0.921617D+00  0.300997D+01  0.144865D+01  0.631378D+01
                46            47            48            49            50 
      1   0.411791D+01  0.123886D+01  0.508773D+01  0.272677D+01  0.128257D+01
      2  -0.585575D+01 -0.549993D+01  0.212157D+00 -0.462317D+01 -0.373037D+01
      3  -0.650555D+02 -0.356989D+02  0.445203D+00 -0.116311D+02 -0.259932D+02
                51            52            53            54            55 
      1  -0.377091D+01  0.578639D+01 -0.449911D+01  0.340155D+01  0.138675D+01
      2   0.865832D+00 -0.185316D+02  0.267042D+01 -0.219128D+01  0.297993D+00
      3   0.710915D+00 -0.185904D+01 -0.136744D+01 -0.574299D+01 -0.316116D+02
                56            57            58            59            60 
      1   0.534163D+01  0.461841D+01 -0.767083D-01  0.113833D+01 -0.374949D+01
      2  -0.522542D+01 -0.652109D+01 -0.124107D+01 -0.867162D+00  0.379324D+01
      3  -0.373378D+02  0.410420D+01 -0.151161D+01 -0.288895D+02  0.132440D+01
                61            62            63            64            65 
      1   0.284693D+01 -0.397275D+01  0.169801D+01 -0.554067D+00 -0.150775D-01
      2  -0.240758D+02  0.694491D+01 -0.470234D+01  0.352579D+00  0.516939D+00
      3   0.113608D+01 -0.230213D+01 -0.101824D+02  0.977050D+00  0.258462D+00
                66            67            68            69            70 
      1   0.755011D+00  0.611269D+00 -0.193989D+01 -0.370507D+01 -0.141746D+00
      2   0.151476D+00  0.851350D+00  0.150556D+00 -0.128552D+01 -0.202487D+01
      3   0.950802D-01  0.417831D+01  0.570196D+01 -0.674182D+00 -0.144077D+00
                71            72            73            74            75 
      1   0.256807D+01  0.407177D+00 -0.725626D+00  0.241340D+00 -0.273311D+01
      2   0.958271D+00 -0.614190D-02 -0.790706D+00 -0.741091D+00  0.230055D+01
      3  -0.818766D+00 -0.498539D+00  0.114060D+02  0.101759D+00  0.700246D+00
                76            77            78            79            80 
      1   0.129415D+01  0.944287D+00 -0.252621D+01  0.202200D+01  0.982005D+00
      2  -0.155649D+01 -0.999863D+00  0.258187D+01 -0.252428D+01  0.229875D+00
      3   0.174133D+01 -0.164487D+01 -0.195785D+00  0.224269D+01 -0.139058D+00
                81            82            83            84            85 
      1   0.350395D+00  0.708118D+00 -0.684195D+00  0.967564D+00 -0.289559D+00
      2  -0.425126D+00 -0.455329D+00  0.556109D-01  0.508461D+00  0.351124D+00
      3  -0.832686D+00 -0.462655D+01  0.218352D+01 -0.602940D+00  0.489771D+01
                86            87            88            89            90 
      1   0.269630D+01 -0.516746D+01 -0.102184D+01  0.192233D+01  0.307257D+00
      2  -0.367141D+00 -0.645166D+00 -0.744021D+00 -0.106535D+01  0.320973D+00
      3  -0.370801D+01  0.583389D+00 -0.100229D+01  0.112929D+01  0.111022D+01
                91            92            93            94            95 
      1  -0.159385D+01 -0.356162D+00 -0.139127D+01 -0.248225D+01  0.257651D+01
      2   0.166646D+02 -0.130705D+01 -0.923734D+01 -0.623803D+01 -0.244464D+01
      3   0.678633D+01 -0.766356D+01  0.224789D+01  0.984193D+01 -0.232731D+02
                96            97            98            99           100 
      1  -0.340000D+01 -0.514644D+01  0.285406D+01 -0.728694D+00  0.583173D+01
      2  -0.164399D+01 -0.409900D+02 -0.249116D+01  0.557711D+01  0.106404D+02
      3   0.436214D+01  0.495318D+01  0.404191D+01  0.645102D+01 -0.185921D+02
               101           102           103           104           105 
      1   0.740869D+00 -0.509854D-01 -0.206204D+01 -0.120840D+02 -0.383278D+01
      2  -0.281243D+01  0.238470D+02 -0.175800D+01  0.835837D+00  0.968430D+01
      3  -0.187889D+01 -0.320052D+01  0.447099D+01  0.257776D+02  0.707600D+00
               106           107           108           109           110 
      1   0.228531D+01  0.186833D+01  0.713177D+01  0.793756D+01  0.324135D+01
      2   0.179120D+02  0.736822D+01 -0.121044D+02 -0.171750D+02  0.102291D+01
      3  -0.537943D+01 -0.536549D+00 -0.963499D+01  0.355233D+01  0.153895D+02
               111           112           113           114           115 
      1   0.685019D+01  0.143345D+02 -0.747027D+00 -0.163354D+02  0.692059D+01
      2   0.312177D+01  0.566232D+01 -0.730390D+00 -0.642817D+01  0.168981D+02
      3  -0.519959D+00  0.199952D+02  0.125538D+02 -0.303830D+01  0.744049D+00
               116           117           118           119           120 
      1  -0.513686D+01 -0.692529D+00 -0.432459D+00  0.479453D+00  0.233262D+00
      2  -0.138180D+01 -0.780117D+00  0.136664D+01  0.488150D+00  0.315919D+01
      3  -0.257255D+01 -0.426642D+01  0.696434D+01 -0.159660D+01 -0.183836D+00
               121           122           123           124           125 
      1   0.707448D+00 -0.409612D+01 -0.214001D+01  0.263304D+00  0.841709D+00
      2   0.106539D+01  0.185094D+01 -0.489463D+01  0.233608D+01 -0.276711D+01
      3  -0.151656D+01  0.243922D+02 -0.320256D+01  0.628788D+00 -0.261869D+01
               126           127           128           129           130 
      1   0.453539D+00 -0.320076D+01  0.372442D+01 -0.144393D+00  0.350395D+01
      2   0.166312D+01 -0.114380D+02  0.202852D+01  0.656105D+01  0.183201D+01
      3   0.251839D+01  0.885509D+01 -0.887116D+01  0.154827D+01 -0.709550D+01
               131           132           133           134           135 
      1  -0.616054D+00 -0.270113D+00 -0.102155D+01  0.842655D+00 -0.105270D+01
      2  -0.109759D+01 -0.351479D+01  0.245023D+01 -0.108535D+01  0.629640D+00
      3   0.141388D+01 -0.180452D+01  0.940100D+00 -0.177259D+01  0.222301D+01
               136           137           138           139           140 
      1  -0.169647D+01 -0.247728D+01  0.701302D+00 -0.734937D+00 -0.623457D+00
      2   0.767220D+01  0.187935D+01 -0.149788D+02  0.159308D+01  0.439808D+01
      3   0.214923D+01  0.174342D+01 -0.834984D+00  0.132037D+01  0.269550D+00
               141           142           143           144           145 
      1   0.132683D+01  0.400258D-01  0.418601D+01 -0.282291D+01  0.262961D+01
      2  -0.746864D+01 -0.660211D+01 -0.386303D+01  0.312688D+02 -0.813141D+00
      3  -0.421254D+01  0.504701D+00 -0.316279D+01  0.377540D+01 -0.456993D+01
               146           147           148           149           150 
      1   0.799049D+00  0.366292D+00  0.114828D+01  0.145765D+02 -0.106790D+01
      2  -0.114789D+01 -0.132747D+01 -0.530283D+00  0.218783D+01  0.564175D+01
      3  -0.162031D+01 -0.748238D+00 -0.548425D+00 -0.285619D+02 -0.358536D+01
               151           152           153           154           155 
      1   0.469705D+00  0.698951D+00  0.117091D+01 -0.609497D+01 -0.330221D+01
      2  -0.109471D+01  0.190509D+01  0.164968D+01  0.700049D+01  0.928526D+00
      3  -0.186740D+01  0.540397D+00 -0.270305D+01 -0.142283D+02 -0.235127D+02
               156           157           158           159           160 
      1  -0.226615D+01 -0.962705D+01 -0.255667D+01  0.782123D+00 -0.404143D+00
      2   0.228632D+02 -0.513453D+01  0.139064D+01  0.778993D+01  0.680125D+01
      3   0.283592D+00 -0.183417D+02 -0.147776D+02  0.230477D+01  0.137369D+01
               161           162           163           164           165 
      1   0.335186D+01 -0.831368D+00 -0.848742D+01 -0.176147D+01  0.223605D-01
      2   0.271559D+01  0.499119D+00  0.129650D+02  0.326359D+01  0.173703D+01
      3   0.197760D+01 -0.321017D+01 -0.105540D+02 -0.391438D+01  0.613470D+00
               166           167           168           169           170 
      1  -0.575712D+01  0.200461D+01  0.473118D+01  0.221713D+01  0.857635D+01
      2   0.407798D+01 -0.618532D+01  0.988425D+00 -0.809476D+01 -0.317241D+01
      3  -0.258425D+01  0.237821D+01  0.761375D+01 -0.869256D+00  0.339823D+01
               171           172           173           174           175 
      1  -0.368071D+01  0.735495D+01  0.131783D+01 -0.273742D+01  0.588657D+01
      2  -0.263121D+02 -0.240063D+02 -0.312425D+01 -0.676713D+01 -0.414049D+01
      3   0.426693D+01  0.105497D+02  0.220900D+01  0.265142D+00  0.610752D+01
               176           177           178           179           180 
      1  -0.791626D+00 -0.247659D+01 -0.330224D+01 -0.599637D+00  0.113738D+01
      2  -0.307101D+01 -0.175183D+01 -0.112109D+01 -0.335896D+00 -0.322185D+01
      3   0.107054D+01  0.155660D+01 -0.359118D+01 -0.411799D+00  0.170586D+01
               181           182           183           184           185 
      1   0.280120D+00 -0.420835D+01 -0.590489D+01 -0.152633D+00  0.119879D+01
      2   0.244612D+01  0.163962D+01  0.979340D+01  0.109089D+01  0.235349D+01
      3   0.162809D+02  0.822066D+01 -0.130427D+01 -0.164622D+02  0.769430D+01
               186           187           188           189           190 
      1  -0.119748D+01 -0.134176D+02  0.711809D+01 -0.275990D+01 -0.242081D+01
      2   0.410796D+01 -0.230551D+01  0.124430D+02  0.536620D-01  0.120648D+02
      3  -0.224818D+01  0.198438D+01 -0.747407D+00  0.766214D+00  0.267846D+02
               191           192           193           194           195 
      1  -0.525050D+01  0.176258D+01 -0.513243D+01 -0.113068D+01  0.341796D+01
      2   0.495681D+01  0.210954D+01  0.710463D+01  0.239814D+01 -0.715183D+00
      3   0.248739D+02 -0.696013D+00  0.530394D+02  0.110463D+02  0.308544D+01
               196           197           198           199           200 
      1  -0.917081D-01  0.146299D+02 -0.194181D+01  0.638590D+00  0.499247D+01
      2   0.336384D+01 -0.499628D+01  0.286238D+01 -0.113360D+02 -0.647888D+01
      3  -0.382430D+01  0.262792D+01 -0.497922D+00 -0.579744D+01 -0.472430D+02
               201           202           203           204           205 
      1  -0.469747D+00  0.186592D+01  0.187398D+01 -0.334714D+01  0.581965D+01
      2   0.269574D+01 -0.627204D+01 -0.470183D+01 -0.564769D+01 -0.202250D+02
      3   0.350605D+01 -0.791116D+01 -0.126301D+02  0.186870D+01  0.208840D+01
               206           207           208           209           210 
      1   0.128965D+01  0.108437D+01  0.203507D+01  0.452900D+01 -0.151880D+01
      2  -0.173688D+02  0.233563D+01 -0.344959D+01 -0.418927D+01  0.147223D+02
      3   0.401956D+00  0.893017D+01 -0.129642D+02 -0.445197D+02  0.174832D+01
               211           212           213           214           215 
      1  -0.601347D+00 -0.161068D+01 -0.458386D+01 -0.277782D+01 -0.168435D+01
      2  -0.539190D+00  0.302680D+01  0.666705D+01 -0.767758D+01 -0.177227D+01
      3  -0.159313D+01  0.140878D+02 -0.224835D+01 -0.719528D+00 -0.488511D+01
               216           217           218           219           220 
      1   0.261005D+00  0.411082D+00 -0.184221D+01  0.127040D+01 -0.114959D+01
      2   0.300867D+00  0.156451D+00  0.474205D+01 -0.755852D+01  0.473945D+01
      3   0.355075D+01 -0.297843D+02  0.164990D+02 -0.599439D+01  0.365360D+02
               221           222           223           224           225 
      1  -0.746659D+00  0.308221D+01  0.129562D+02  0.491070D+01 -0.149628D+01
      2  -0.632517D+01 -0.413832D+02 -0.278388D+02 -0.305967D+02  0.782502D+01
      3   0.229768D+02  0.861399D+01 -0.511396D+01  0.618185D+01  0.308046D+02
               226           227           228           229           230 
      1   0.147602D+00 -0.173537D+00  0.881982D+00  0.350783D-01 -0.630626D+00
      2  -0.715015D+00  0.863865D+00  0.256366D+00  0.372525D+00 -0.222279D+01
      3  -0.631077D+01  0.441077D+01 -0.101510D+01  0.377876D+01 -0.212333D+02
               231           232           233           234           235 
      1  -0.454803D+01  0.206910D-01  0.291163D+01  0.179820D+00 -0.117909D+01
      2   0.926413D+00 -0.508480D-01 -0.402490D+00  0.833112D-01  0.246440D+01
      3   0.236225D+01 -0.936486D+00  0.310288D+01  0.293920D+00  0.550992D+01
               236           237           238           239           240 
      1  -0.366968D+00 -0.181522D+01  0.768384D-01 -0.143804D+00 -0.236068D+01
      2   0.389064D+00  0.205943D+01 -0.895521D-01  0.120181D+00  0.289443D+01
      3  -0.542617D+01  0.769962D+00 -0.587871D+01 -0.105803D+02  0.775962D-01
               241           242           243           244           245 
      1   0.244797D+01  0.937314D+00  0.291170D+00  0.122446D+00 -0.235464D+00
      2  -0.317791D+01 -0.315715D-01 -0.707994D+00  0.626205D+00 -0.720770D+00
      3   0.177466D+01  0.635607D+00 -0.112211D+01  0.391387D+01 -0.273753D+01
               246           247           248           249           250 
      1   0.985000D+00 -0.351241D+00  0.555106D-01 -0.408414D+01 -0.394554D+00
      2   0.123161D+01 -0.872494D+00  0.283729D+01 -0.318464D+01 -0.204380D+01
      3   0.548886D+00 -0.219213D+01  0.216287D+02 -0.241670D+01  0.816981D+00
               251           252           253           254           255 
      1   0.179755D+01  0.325012D+00 -0.359060D+00  0.217565D+00 -0.113744D+00
      2   0.176659D+00  0.243450D+00 -0.106188D+02 -0.296176D+01  0.339540D+01
      3  -0.247424D+01  0.523968D-02 -0.389242D+01 -0.283110D+01  0.285330D+01
               256           257           258           259           260 
      1   0.160251D+01  0.994473D+00 -0.274523D+01 -0.381359D+01  0.102505D+01
      2  -0.849731D+01 -0.976006D+01  0.165121D+02  0.204865D+02  0.164670D+02
      3  -0.126583D+02 -0.166503D+02  0.100693D+02  0.991811D+01  0.141120D+02
               261           262           263           264           265 
      1   0.452535D+01  0.124253D+01 -0.435616D-01  0.767633D+00 -0.465991D+00
      2  -0.333497D+02  0.657022D+01  0.740786D-02 -0.339452D+00  0.762984D+01
      3  -0.167201D+02 -0.373860D+01 -0.904027D+00 -0.236721D+00 -0.144277D+02
               266           267           268           269           270 
      1   0.115866D+01 -0.239122D+01 -0.191588D+01  0.199851D+01 -0.272775D+01
      2   0.139746D+02  0.195879D+02  0.154628D+02  0.179563D+02  0.263199D+02
      3  -0.253196D+02 -0.159121D+02 -0.887511D+01 -0.173802D+02 -0.192516D+02
               271           272           273           274           275 
      1  -0.112604D+01  0.846414D+00  0.505402D+00  0.783579D+00 -0.762964D+00
      2   0.412215D+01 -0.133362D+01  0.889325D+01 -0.232767D+01  0.174851D+01
      3   0.238316D+02 -0.137103D+02  0.251846D+01 -0.175218D+02  0.138705D+02
               276           277           278           279 
      1  -0.101476D+01 -0.107056D+01  0.425940D+00  0.816592D-01
      2  -0.358184D+01  0.899845D+01 -0.142237D+00  0.211317D+01
      3  -0.263895D+01  0.291239D+01 -0.263978D+01  0.179241D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.886350D+02 -0.370762D+02 -0.124441D+01  0.945733D+02 -0.715381D+01
      2   0.402073D+02  0.191671D+02  0.780488D+00 -0.439638D+02  0.105287D+02
      3   0.484278D+02  0.179091D+02  0.463918D+00 -0.506095D+02 -0.337488D+01
      4  -0.319844D+02  0.107890D+01 -0.185666D+01 -0.267993D+01  0.779071D+01
      5   0.155956D+01 -0.142162D+01  0.598743D+00 -0.333632D+01 -0.302736D+01
      6   0.152051D+01  0.146220D+01  0.932704D-01 -0.344423D+01 -0.319864D+01
                 6             7             8             9            10 
      1   0.648545D+01 -0.196682D+02 -0.307693D+01 -0.113997D+02  0.758736D+02
      2  -0.483551D+01  0.853054D+01  0.164525D+01 -0.266184D+00 -0.253558D+02
      3  -0.164994D+01  0.111377D+02  0.143169D+01  0.116658D+02 -0.505178D+02
      4  -0.133136D+01 -0.225404D+01 -0.848230D+00 -0.107843D+00  0.107604D+02
      5  -0.998429D+00  0.203613D+01  0.149406D+01 -0.161294D+01  0.191371D+01
      6  -0.477666D+00 -0.282026D+01  0.460466D+01  0.113238D+00 -0.528991D+01
                11            12            13            14            15 
      1  -0.192187D+01  0.741590D+01 -0.110173D+03 -0.194538D+02 -0.681722D+01
      2   0.201387D+01 -0.194516D+01  0.481823D+02  0.184630D+02  0.101701D+01
      3  -0.920067D-01 -0.547074D+01  0.619909D+02  0.990772D+00  0.580021D+01
      4  -0.666995D+01  0.517226D+00 -0.179931D+02 -0.145749D+02  0.552105D+00
      5  -0.195510D+01 -0.999259D+01  0.535517D+01  0.271635D+01  0.128178D+01
      6  -0.751970D+00 -0.406143D-01  0.245519D+01  0.246074D+00 -0.195830D+01
                16            17            18            19            20 
      1   0.192216D+02  0.108811D+01 -0.838641D+01  0.665788D+02  0.429315D+02
      2  -0.744166D+01 -0.136029D+01 -0.132081D+01 -0.240518D+02 -0.253779D+02
      3  -0.117799D+02  0.272184D+00  0.970722D+01 -0.425270D+02 -0.175536D+02
      4   0.307201D+01  0.116194D+00 -0.246197D+01  0.363099D+02 -0.753731D+01
      5  -0.137157D+01 -0.242187D+01 -0.228747D+01 -0.475328D+01  0.129190D+01
      6  -0.256722D+01  0.419927D+01  0.117867D+01 -0.431137D+01 -0.523709D+01
                21            22            23            24            25 
      1   0.467210D+01 -0.106088D+02  0.229824D+02 -0.995450D+00  0.864939D+01
      2  -0.147045D+01  0.210876D+02 -0.281531D+02  0.484602D+01 -0.507589D+01
      3  -0.320166D+01 -0.104787D+02  0.517069D+01 -0.385057D+01 -0.357350D+01
      4   0.223211D+01  0.172666D+02  0.219597D+01 -0.169316D+01  0.380277D+01
      5  -0.766543D+01 -0.169755D+01 -0.291250D+01 -0.902393D+01  0.117266D+02
      6   0.805167D+00 -0.532328D+01  0.454755D+01  0.605332D+01 -0.238186D+01
                26            27            28            29            30 
      1   0.473955D+01 -0.127805D+02  0.155550D+01 -0.228893D+01 -0.602539D+01
      2   0.314833D+01 -0.150668D+01 -0.268779D+02  0.101512D+01  0.760042D+00
      3  -0.788789D+01  0.142872D+02  0.253224D+02  0.127381D+01  0.526535D+01
      4  -0.291936D+01 -0.542179D+01 -0.237574D+02  0.104675D+02 -0.492290D+00
      5  -0.899069D+01  0.377115D+00  0.961292D+01  0.203316D+01  0.119554D+02
      6   0.121956D+02 -0.302379D+01  0.735171D+01  0.299642D+01 -0.256135D+01
                31            32            33            34            35 
      1  -0.491515D+02 -0.595986D+02  0.611291D+01  0.151367D+00  0.403840D+01
      2   0.388644D+02  0.513710D+02 -0.668222D+01 -0.542309D+01 -0.506641D+01
      3   0.102872D+02  0.822759D+01  0.569314D+00  0.527172D+01  0.102802D+01
      4  -0.315859D+02 -0.870183D+00 -0.106053D+01  0.524147D+01 -0.257487D+00
      5   0.582828D+01 -0.807573D+00  0.452530D+01  0.344258D+02  0.346408D+01
      6  -0.397039D+01  0.965848D+00 -0.396535D+01 -0.464775D+01  0.315010D+01
                36            37            38            39            40 
      1  -0.150452D+01 -0.176711D+02 -0.615664D+02  0.264032D+01  0.377467D+02
      2  -0.102189D+02  0.100886D+02  0.465360D+02 -0.173198D+01 -0.412695D+02
      3   0.117234D+02  0.758248D+01  0.150304D+02 -0.908339D+00  0.352278D+01
      4  -0.252306D+01 -0.846288D+01 -0.599458D+01 -0.439918D+00  0.726356D+01
      5   0.595036D+00  0.138605D+01 -0.335077D+01  0.830369D+01  0.377480D+01
      6   0.209840D+01 -0.336836D+01  0.338910D+01  0.109690D+02  0.871801D+01
                41            42            43            44            45 
      1   0.356489D+02 -0.487768D+01 -0.829624D+01 -0.125950D+02 -0.997098D+01
      2  -0.318678D+02  0.157260D+01  0.736211D+01  0.848932D+01 -0.469966D+00
      3  -0.378118D+01  0.330508D+01  0.934127D+00  0.410572D+01  0.104409D+02
      4  -0.136422D+02  0.363141D+01 -0.217847D+01  0.190086D+01  0.900197D+01
      5   0.526982D+01  0.615675D+01  0.167082D+02  0.582425D+01  0.241549D+00
      6  -0.862320D+00  0.128759D+01  0.190542D+02  0.806683D+01  0.548688D+01
                46            47            48            49            50 
      1   0.238193D+02  0.408280D+02  0.134845D+01 -0.200445D+02 -0.327879D+01
      2  -0.201940D+02 -0.314449D+02 -0.507444D+00  0.139590D+02 -0.103818D+02
      3  -0.362532D+01 -0.938306D+01 -0.841002D+00  0.608555D+01  0.136606D+02
      4  -0.928959D+00 -0.460383D+01  0.571723D+00  0.609620D+01  0.109514D+02
      5  -0.464486D+01  0.292334D+01 -0.221709D+01 -0.355984D+00 -0.953604D+00
      6   0.348223D+01 -0.596159D+01 -0.758744D+01 -0.104139D+00  0.787377D+01
                51            52            53            54            55 
      1  -0.449767D+01  0.648589D+01 -0.951220D+00 -0.233201D+02  0.264556D+02
      2   0.486973D+01 -0.516193D+01  0.410951D+01  0.116754D+02 -0.178155D+02
      3  -0.372062D+00 -0.132396D+01 -0.315829D+01  0.116447D+02 -0.864014D+01
      4  -0.154928D+01 -0.166466D+00 -0.383541D+01 -0.179373D+01  0.203517D+02
      5  -0.158249D+00  0.366320D+01  0.150911D+01 -0.225628D+01  0.365104D+01
      6   0.898954D+01 -0.150127D+01  0.234924D+02 -0.220196D+01  0.220881D+01
                56            57            58            59            60 
      1   0.500098D+02 -0.541432D+00  0.591946D+01  0.209543D+02 -0.462931D+01
      2  -0.319616D+02 -0.103104D+01  0.150812D+01 -0.222591D+02  0.619937D+01
      3  -0.180482D+02  0.157248D+01 -0.742758D+01  0.130484D+01 -0.157005D+01
      4  -0.415165D+02  0.395302D+01  0.300473D+02  0.179653D+02  0.155041D+01
      5   0.524217D+01 -0.145737D+02 -0.348275D+01  0.670890D+00  0.575990D+01
      6  -0.217161D+01 -0.897167D+01 -0.755485D+00  0.649555D+01  0.841724D+01
                61            62            63            64            65 
      1   0.299976D+01 -0.177983D+01 -0.212772D+02 -0.920506D+00  0.285236D+01
      2  -0.161944D+01  0.708849D+01  0.823189D+01  0.403569D+01 -0.414318D+01
      3  -0.138031D+01 -0.530866D+01  0.130453D+02 -0.311518D+01  0.129082D+01
      4  -0.306202D+01 -0.389465D+01  0.154869D+02 -0.549969D+01  0.101775D+02
      5   0.187538D+01  0.180470D+02 -0.829768D+01  0.129148D+01 -0.179172D+01
      6   0.347120D+01  0.219733D+02 -0.489946D+01 -0.198136D+01  0.178731D+01
                66            67            68            69            70 
      1  -0.416574D+00  0.822582D+01 -0.333074D+02  0.498521D+01  0.220403D+00
      2   0.281058D+00 -0.111712D+02  0.400310D+02 -0.399690D+01  0.211335D+00
      3   0.135516D+00  0.294534D+01 -0.672363D+01 -0.988304D+00 -0.431738D+00
      4  -0.145028D+01  0.105702D+02 -0.190443D+02  0.252759D+01 -0.163304D+01
      5   0.149141D+01 -0.188436D+01  0.168440D+01 -0.219851D+01  0.225384D-01
      6  -0.105379D+01  0.327546D+01 -0.993020D+01  0.679605D+01 -0.161527D+01
                71            72            73            74            75 
      1   0.351810D+01 -0.387916D+01  0.105307D+02 -0.515413D+00  0.274261D+00
      2  -0.386555D+01  0.384181D+01  0.734485D+00  0.789146D+01 -0.588044D+00
      3   0.347443D+00  0.373527D-01 -0.112652D+02 -0.737604D+01  0.313782D+00
      4   0.286203D+01 -0.794939D+00  0.266597D+02  0.197412D+02  0.758500D-01
      5   0.106544D+00  0.617595D+00  0.260003D+01  0.346774D+00  0.445599D+01
      6   0.359229D+01 -0.191443D+01  0.189362D+01  0.873646D+00  0.234924D+01
                76            77            78            79            80 
      1  -0.365631D+01 -0.907143D+01 -0.497097D-01  0.211543D+01  0.773303D+00
      2   0.135381D+02  0.189459D+02 -0.107671D+00 -0.216101D+01 -0.109144D+01
      3  -0.988181D+01 -0.987446D+01  0.157381D+00  0.455792D-01  0.318139D+00
      4   0.262716D+02  0.262232D+02 -0.362246D+00 -0.125943D+01 -0.147372D+01
      5  -0.229647D+00 -0.561002D-01  0.328520D+01 -0.198947D+00  0.176383D+01
      6   0.782852D+00  0.133846D+01  0.406852D+01 -0.109113D+01  0.209210D+01
                81            82            83            84            85 
      1   0.427426D+00 -0.486738D+01  0.704850D+01 -0.131634D+01  0.305758D+01
      2   0.630212D+00  0.691960D+01 -0.964131D+01  0.124105D+01 -0.341192D+01
      3  -0.105764D+01 -0.205221D+01  0.259281D+01  0.752913D-01  0.354339D+00
      4   0.200235D+01 -0.271352D+01  0.117226D+02 -0.981364D+00  0.619351D+01
      5  -0.587923D+00 -0.371845D+00 -0.902176D-01  0.179564D+01 -0.217965D+00
      6  -0.684125D+00 -0.481936D+00  0.129163D+01 -0.123244D+01  0.255358D-01
                86            87            88            89            90 
      1  -0.553791D+02  0.544848D+01 -0.131993D+01  0.694664D+01 -0.256790D+01
      2   0.731768D+02 -0.604353D+01  0.120684D+01 -0.829886D+01  0.299683D+01
      3  -0.177977D+02  0.595045D+00  0.113088D+00  0.135221D+01 -0.428934D+00
      4  -0.908495D+01  0.576693D+00 -0.723677D+00  0.152186D+01 -0.154749D+01
      5  -0.188478D+01 -0.373399D+00  0.742072D+00 -0.125252D+01  0.423625D+00
      6  -0.470935D+01  0.773111D+01  0.229676D+00  0.333121D+01 -0.172793D+01
                91            92            93            94            95 
      1  -0.174520D+02 -0.563639D+01  0.119705D+02 -0.803808D+01  0.147999D+02
      2   0.272729D+02  0.635680D+01  0.154549D+01  0.121897D+02 -0.204396D+02
      3  -0.982088D+01 -0.720415D+00 -0.135160D+02 -0.415166D+01  0.563970D+01
      4  -0.421788D+00  0.134950D+01 -0.507209D+01 -0.313267D+01  0.398729D+02
      5  -0.214603D+01 -0.649276D+01 -0.271022D+02 -0.243309D+02 -0.440356D+01
      6  -0.673370D+01 -0.266302D+01 -0.132096D+01  0.369690D-01  0.971089D+01
                96            97            98            99           100 
      1  -0.132888D+02  0.758457D+01 -0.561888D+01 -0.269766D+02 -0.667088D+02
      2   0.156022D+02  0.297069D+01  0.535981D+01  0.202085D+02  0.371627D+02
      3  -0.231342D+01 -0.105553D+02  0.259074D+00  0.676810D+01  0.295460D+02
      4  -0.400702D+01 -0.117505D+02 -0.502532D+01 -0.392910D+01  0.288686D+02
      5  -0.660003D+01 -0.694737D+02 -0.707707D+01 -0.443894D+01 -0.382212D+02
      6  -0.103515D+01 -0.937499D+00 -0.136487D+01 -0.510155D+01  0.140088D+02
               101           102           103           104           105 
      1   0.197146D+02 -0.355392D+02  0.385472D+02  0.566554D+00 -0.588320D-01
      2  -0.105083D+02  0.264895D+01 -0.296577D+02 -0.719349D+01 -0.119088D+02
      3  -0.920630D+01  0.328902D+02 -0.888946D+01  0.662694D+01  0.119676D+02
      4  -0.104105D+01  0.466211D+01 -0.571006D+01 -0.419386D+02 -0.220253D+01
      5   0.938968D+01  0.199822D+02  0.270291D+02 -0.796704D+00  0.203805D+02
      6   0.119021D+00  0.895478D+00  0.151011D+00 -0.180329D+02 -0.752408D-01
               106           107           108           109           110 
      1  -0.610694D+01 -0.292883D+01  0.396867D+02 -0.110062D+03 -0.150810D+02
      2  -0.153492D+02 -0.530888D+01 -0.125491D+02  0.491701D+02  0.295473D+01
      3   0.214562D+02  0.823771D+01 -0.271376D+02  0.608918D+02  0.121262D+02
      4   0.649296D+01  0.236517D+01  0.153612D+02 -0.225668D+02 -0.183586D+02
      5   0.465191D+02  0.151176D+02  0.142490D+02  0.246090D+02  0.893854D+01
      6   0.491284D+01  0.201592D+01  0.122756D+02  0.689960D+01  0.191561D+01
               111           112           113           114           115 
      1   0.123462D+02 -0.291392D+02 -0.109367D+02  0.804689D+01 -0.349170D+02
      2  -0.633547D+01  0.828115D+01  0.113495D+02 -0.449794D+01  0.267356D+02
      3  -0.601072D+01  0.208581D+02 -0.412831D+00 -0.354894D+01  0.818147D+01
      4   0.618155D+01  0.326999D+01 -0.179408D+02  0.651959D+00  0.714774D+01
      5  -0.343947D+01  0.179545D+02  0.248523D+01 -0.266931D+01  0.360353D+02
      6  -0.313650D+01  0.229008D+01  0.127462D+01  0.107412D+01  0.438715D+00
               116           117           118           119           120 
      1   0.566626D+01  0.313392D+02 -0.678664D+01 -0.621196D+01 -0.494699D+00
      2  -0.227972D+01 -0.986434D+01  0.858389D+01  0.233431D+01  0.331117D+00
      3  -0.338654D+01 -0.214748D+02 -0.179726D+01  0.387765D+01  0.163582D+00
      4  -0.148676D+01  0.302693D+01 -0.895650D+01  0.778959D+01 -0.544992D+00
      5   0.399626D+01 -0.978910D+01  0.362938D+00 -0.103949D+01  0.726851D+01
      6  -0.438858D+01 -0.391865D+01 -0.240490D+01  0.880309D+00 -0.279991D+00
               121           122           123           124           125 
      1  -0.842874D+01 -0.181688D+02  0.573207D+01 -0.235356D+01  0.210406D+01
      2  -0.482119D+00  0.306605D+02 -0.466913D+01  0.176728D+01 -0.677963D+00
      3   0.891086D+01 -0.124917D+02 -0.106294D+01  0.586279D+00 -0.142609D+01
      4   0.170305D+02 -0.473543D+02  0.596716D+01 -0.395325D+00  0.487973D+01
      5  -0.144128D+01  0.564367D+01 -0.113345D+02  0.976798D+01 -0.594546D+01
      6   0.235240D+01 -0.109930D+02  0.628383D+01 -0.208619D+01  0.686909D+01
               126           127           128           129           130 
      1  -0.653337D+00  0.111227D+03 -0.138133D+02  0.219758D+02 -0.267459D+02
      2   0.388150D+00 -0.678537D+02  0.704100D+01 -0.185524D+02  0.157731D+02
      3   0.265187D+00 -0.433734D+02  0.677230D+01 -0.342345D+01  0.109728D+02
      4  -0.635091D+01 -0.215768D+02  0.156677D+02 -0.435373D+01  0.216439D+02
      5   0.492255D+01  0.653839D+02 -0.683818D+01  0.298244D+02 -0.192788D+02
      6  -0.223136D+01 -0.838422D+01  0.625040D+01 -0.200360D+01  0.790406D+01
               131           132           133           134           135 
      1   0.115724D+02 -0.419542D+01  0.993611D+01 -0.493532D+00  0.664158D+01
      2  -0.449589D+01  0.563074D+01 -0.931303D+01  0.170835D+01 -0.784402D+01
      3  -0.707648D+01 -0.143532D+01 -0.623080D+00 -0.121482D+01  0.120244D+01
      4  -0.544394D+01  0.537828D+01 -0.244449D+01  0.186717D+01 -0.469096D+01
      5   0.743379D+01 -0.113030D+02  0.184521D+02 -0.471785D+01  0.980787D+01
      6  -0.194918D+01  0.337424D+01 -0.252579D+01  0.151656D+01 -0.213661D+01
               136           137           138           139           140 
      1  -0.560049D+01 -0.474711D+01  0.244095D+02 -0.667202D+01 -0.712953D+01
      2  -0.127124D+01  0.134559D+01  0.213312D+01  0.453216D+01  0.128110D+01
      3   0.687173D+01  0.340152D+01 -0.265426D+02  0.213986D+01  0.584844D+01
      4  -0.363124D+01 -0.302477D+01  0.140336D+01  0.199873D+01 -0.410461D+00
      5   0.176763D+01 -0.819468D+00 -0.128173D+02 -0.495730D+01  0.569049D+01
      6  -0.242526D+01 -0.363722D+01  0.252950D+01  0.211426D+00 -0.266298D+01
               141           142           143           144           145 
      1   0.804938D+01  0.992551D+01  0.436532D+01 -0.418266D+02  0.971916D+01
      2   0.295084D+01 -0.294280D+01  0.161397D+01 -0.145006D+02 -0.301376D+01
      3  -0.110002D+02 -0.698271D+01 -0.597929D+01  0.563272D+02 -0.670540D+01
      4   0.762622D+01 -0.110817D+00  0.654449D+01 -0.756517D+01  0.634922D+01
      5  -0.117816D+02  0.518082D+01 -0.510891D+01  0.409188D+02  0.513602D+01
      6   0.935697D+01 -0.371133D+00  0.722761D+01 -0.751069D+01  0.192028D+01
               146           147           148           149           150 
      1   0.550200D+01  0.484474D+01  0.121380D+02 -0.440769D+01 -0.132478D+01
      2  -0.190534D+01 -0.755237D+00 -0.598531D+01  0.141643D+02 -0.284793D+01
      3  -0.359665D+01 -0.408951D+01 -0.615265D+01 -0.975665D+01  0.417272D+01
      4   0.748111D+01  0.627503D+00  0.156735D+02  0.524523D+02  0.935341D+01
      5   0.219141D+01 -0.419488D+00  0.121233D+02  0.958244D+01  0.139397D+02
      6   0.194311D+01  0.756274D-01  0.587071D+01  0.249402D+02  0.809769D+01
               151           152           153           154           155 
      1  -0.721793D+00 -0.162842D+01 -0.567758D+01  0.210188D+03  0.227267D+02
      2   0.114775D+01 -0.830883D+00  0.144862D+01 -0.101394D+03 -0.872868D+01
      3  -0.425956D+00  0.245930D+01  0.422896D+01 -0.108795D+03 -0.139980D+02
      4   0.319465D+00  0.609881D+00  0.438392D+01  0.231323D+02  0.360292D+02
      5  -0.381009D+00  0.444925D+01  0.106339D+01 -0.426234D+02 -0.539681D+01
      6   0.966545D+00  0.476067D+01  0.193440D+01 -0.501138D+01 -0.526580D+01
               156           157           158           159           160 
      1  -0.127933D+02  0.338689D+02  0.346389D+02 -0.303627D+01 -0.115915D+02
      2   0.112048D+02 -0.146458D+02 -0.134290D+02  0.275748D+01  0.104723D+02
      3   0.158848D+01 -0.192231D+02 -0.212099D+02  0.278791D+00  0.111919D+01
      4  -0.231054D+01  0.489831D+02  0.260228D+02 -0.451393D+01 -0.357845D+01
      5   0.388554D+02 -0.107698D+02 -0.913210D+01  0.100143D+02  0.368825D+02
      6  -0.200546D+00 -0.977521D+01 -0.501947D+01  0.510646D+01  0.244019D+01
               161           162           163           164           165 
      1  -0.201803D+01  0.201866D+02  0.632988D+02  0.515763D+01 -0.171814D+02
      2   0.159841D+01 -0.144238D+02 -0.446174D+02 -0.170044D+01  0.115464D+02
      3   0.419614D+00 -0.576286D+01 -0.186813D+02 -0.345719D+01  0.563497D+01
      4  -0.188346D+01  0.485327D+01 -0.225634D+01  0.796515D+01  0.435809D+01
      5   0.673368D+01 -0.768917D+01 -0.421566D+02  0.197541D+01  0.201638D+02
      6   0.428476D+01 -0.167018D+01  0.150371D+01 -0.186424D+01 -0.172060D+01
               166           167           168           169           170 
      1   0.164374D+02 -0.781075D+01 -0.389617D+01  0.904695D+01 -0.277018D+01
      2  -0.900937D+01  0.256058D+01  0.291378D+01 -0.232522D+01  0.242427D+00
      3  -0.742801D+01  0.525017D+01  0.982391D+00 -0.672173D+01  0.252776D+01
      4   0.396705D+01 -0.463123D+01 -0.119807D+02  0.577164D+01 -0.664055D+01
      5  -0.627650D+01 -0.115303D+02 -0.214859D+00  0.138921D+02 -0.758308D+01
      6  -0.136889D+01  0.436369D+01  0.119006D+02 -0.411596D+01  0.119386D+02
               171           172           173           174           175 
      1  -0.368349D+02 -0.552153D+02 -0.624859D+01 -0.683242D+01 -0.102071D+02
      2  -0.104590D+02  0.357068D+02  0.273232D+01 -0.557836D+01  0.644001D+01
      3   0.472939D+02  0.195085D+02  0.351627D+01  0.124108D+02  0.376714D+01
      4  -0.929173D+01  0.277950D+01 -0.507484D+01 -0.387325D+01  0.112423D+01
      5  -0.450129D+02  0.310345D+02 -0.229612D+01 -0.179258D+02  0.358931D+01
      6   0.104283D+02 -0.719164D+00  0.456545D+01  0.479227D+01  0.212308D+00
               176           177           178           179           180 
      1  -0.675848D+01 -0.257642D+01  0.121523D+02 -0.819344D+00 -0.112391D+02
      2   0.427699D+01  0.728958D+00 -0.144756D+02  0.289014D+00  0.603623D+01
      3   0.248148D+01  0.184746D+01  0.232329D+01  0.530330D+00  0.520284D+01
      4  -0.276000D+01 -0.383765D+01 -0.260926D+01  0.882319D+00  0.969025D+00
      5  -0.283323D+01 -0.272135D+01 -0.152657D+02  0.567064D+00  0.399640D+01
      6   0.294163D+01  0.433741D+01  0.387639D+01  0.102440D+01  0.208334D+00
               181           182           183           184           185 
      1  -0.510952D+01 -0.517112D+02  0.291314D+01  0.101558D+03  0.213305D+02
      2   0.380855D+01  0.370243D+02  0.270142D+00 -0.692894D+02 -0.196569D+02
      3   0.130097D+01  0.146869D+02 -0.318328D+01 -0.322685D+02 -0.167362D+01
      4  -0.109778D+02  0.482347D+02 -0.674380D+01  0.132235D+02 -0.346282D+02
      5  -0.635113D+01 -0.904782D+01  0.212371D+02  0.547767D+01  0.704018D+01
      6  -0.401094D+01 -0.280387D+01  0.126884D+02  0.637267D+01  0.283357D+01
               186           187           188           189           190 
      1   0.373137D+01 -0.152761D+02 -0.841362D+01  0.363210D+01  0.119460D+03
      2  -0.252874D+01  0.134284D+02  0.697831D+01 -0.901258D+01 -0.608033D+02
      3  -0.120262D+01  0.184780D+01  0.143531D+01  0.538048D+01 -0.586568D+02
      4   0.807641D+01 -0.183357D+01  0.111248D+02  0.179140D+02  0.525569D+01
      5   0.102218D+02  0.321105D+02  0.169019D+02 -0.267197D+01 -0.546763D+01
      6   0.330079D+01  0.165996D+02  0.865100D+01  0.319849D+01 -0.135703D+01
               191           192           193           194           195 
      1   0.256570D+02  0.310756D+01 -0.460884D+02 -0.164511D+02  0.165532D+01
      2  -0.133076D+02 -0.456892D+00  0.407364D+02  0.243559D+02 -0.386538D+01
      3  -0.123495D+02 -0.265067D+01  0.535200D+01 -0.790480D+01  0.221005D+01
      4   0.335674D+02 -0.196655D+01 -0.132185D+02  0.565637D+02 -0.768071D+01
      5  -0.168094D+01  0.573325D+01  0.604087D+01 -0.625798D+01 -0.131035D+01
      6  -0.267058D+01 -0.426935D+01 -0.662509D+01 -0.413290D+01 -0.510258D+01
               196           197           198           199           200 
      1   0.526924D+01  0.637223D+01  0.277248D+02 -0.118807D+03 -0.125979D+02
      2  -0.552034D+01 -0.541420D+01 -0.241450D+02  0.476714D+02  0.375819D+01
      3   0.251107D+00 -0.958034D+00 -0.357973D+01  0.711356D+02  0.883970D+01
      4   0.842452D+01 -0.339343D+01 -0.979516D+00 -0.154395D+02 -0.293850D+02
      5   0.574006D+02  0.374963D+01  0.472631D+01 -0.152168D+01  0.667787D+01
      6  -0.127474D+01  0.446321D+01  0.169436D+01  0.655247D+01 -0.321200D-01
               201           202           203           204           205 
      1  -0.536719D+01 -0.768707D+02 -0.503633D+01 -0.588906D+01 -0.180785D+00
      2   0.250302D+01  0.478004D+02 -0.121283D+02  0.588442D+01 -0.235197D+01
      3   0.286417D+01  0.290703D+02  0.171646D+02  0.464293D-02  0.253276D+01
      4   0.479180D+01  0.413905D-01 -0.195184D+02 -0.231347D+01  0.159493D+01
      5   0.303504D+01 -0.130163D+01 -0.316569D+01 -0.121942D+02  0.347329D+01
      6   0.390905D+00 -0.154681D+01  0.669359D+01  0.651604D+01 -0.340868D+01
               206           207           208           209           210 
      1   0.180156D+00 -0.208998D+02  0.660927D+01 -0.310271D+02  0.153959D+00
      2   0.430078D+01  0.303075D+01 -0.599710D+01  0.158819D+02 -0.206085D+01
      3  -0.448094D+01  0.178690D+02 -0.612170D+00  0.151452D+02  0.190690D+01
      4  -0.743195D+01 -0.241542D+02 -0.271958D+02  0.860263D+01  0.133810D+00
      5  -0.262619D+02  0.422778D+01  0.534771D+01  0.735040D+00  0.291857D+02
      6   0.166422D+02 -0.127843D+01  0.259283D+00  0.241725D+01  0.375900D+01
               211           212           213           214           215 
      1   0.143642D+02  0.163114D+02 -0.271198D+01 -0.188046D+01 -0.367990D+01
      2  -0.137495D+02 -0.553115D+01  0.216181D+01 -0.105190D+00  0.287766D+01
      3  -0.614720D+00 -0.107803D+02  0.550171D+00  0.198565D+01  0.802241D+00
      4   0.447888D+02 -0.179716D+02  0.515223D+01 -0.555221D+01  0.873075D+00
      5  -0.613946D+01  0.313013D+01  0.116015D+02  0.622544D+01 -0.609787D+01
      6   0.226768D+01 -0.251858D+00  0.817900D+01 -0.388430D+01  0.440184D+01
               216           217           218           219           220 
      1  -0.931519D+00 -0.364082D+02  0.564704D+02 -0.534634D+01  0.394847D+02
      2   0.186023D+01  0.216386D+02 -0.289593D+02  0.330326D+01 -0.151049D+02
      3  -0.928707D+00  0.147696D+02 -0.275111D+02  0.204308D+01 -0.243798D+02
      4  -0.715135D+01  0.561944D+02 -0.690890D+01  0.824922D+01 -0.479628D+02
      5   0.297648D+01 -0.649591D+01  0.849987D+01 -0.205192D+02  0.117355D+02
      6  -0.188148D+01  0.332839D+01 -0.234313D+00 -0.270556D+01 -0.383605D+01
               221           222           223           224           225 
      1  -0.197534D+02  0.155931D+02  0.642492D-02  0.134009D+02 -0.174098D+02
      2   0.116304D+02 -0.655826D+01 -0.151270D+01 -0.644479D+01  0.102191D+02
      3   0.812294D+01 -0.903484D+01  0.150627D+01 -0.695613D+01  0.719075D+01
      4  -0.213221D+02 -0.150430D+02  0.110945D+02 -0.958157D+01 -0.536944D+02
      5  -0.139389D+02 -0.810055D+02 -0.454132D+02 -0.551988D+02  0.156816D+02
      6  -0.422398D+01 -0.148957D+02 -0.138263D+02 -0.110660D+02 -0.151395D+01
               226           227           228           229           230 
      1  -0.374343D+01  0.130997D+02 -0.197964D+01  0.146607D+01 -0.532267D+02
      2   0.545607D+01 -0.118844D+02  0.144422D+01 -0.148342D-01  0.673994D+02
      3  -0.171263D+01 -0.121529D+01  0.535419D+00 -0.145123D+01 -0.141727D+02
      4   0.306781D+01  0.538335D+01 -0.184009D-01  0.426656D+01  0.276300D+02
      5  -0.663737D+00  0.178173D+00  0.134134D+01 -0.275361D+00 -0.550741D+01
      6  -0.102533D+01  0.206705D+01 -0.122005D+01 -0.381269D+00 -0.102974D+02
               231           232           233           234           235 
      1   0.594962D+01 -0.712940D+00  0.685925D+01 -0.238732D+01  0.497666D+02
      2  -0.575994D+01  0.331659D+00 -0.750213D+01  0.272027D+01 -0.185583D+02
      3  -0.189684D+00  0.381282D+00  0.642878D+00 -0.332950D+00 -0.312083D+02
      4  -0.328143D+01  0.153996D+00 -0.298524D+01 -0.107469D+01  0.376004D+02
      5   0.279367D+01  0.172616D+01 -0.345170D+00  0.874599D-01 -0.551792D+00
      6   0.783227D+01 -0.339485D+00  0.359013D+01 -0.167349D+01  0.177764D+00
               236           237           238           239           240 
      1   0.161736D+02  0.175579D+01  0.213597D+02  0.112807D+02 -0.303819D+00
      2  -0.157948D+01 -0.946065D+00  0.883482D+00  0.768083D+01  0.267897D+00
      3  -0.145942D+02 -0.809724D+00 -0.222431D+02 -0.189616D+02  0.359228D-01
      4   0.274543D+02 -0.100708D-01  0.410693D+02  0.390360D+02 -0.802249D+00
      5  -0.144242D+01  0.354858D+01 -0.336088D+01 -0.280024D+01  0.453406D+01
      6  -0.240992D+00  0.173693D+01 -0.147496D+01 -0.999622D+00  0.361755D+01
               241           242           243           244           245 
      1   0.222430D+01 -0.109788D+00 -0.108542D+01 -0.205122D+01 -0.533188D+01
      2  -0.216919D+01 -0.563515D+00  0.108579D+01  0.569206D+01 -0.184968D+01
      3  -0.551050D-01  0.673303D+00 -0.368622D-03 -0.364084D+01  0.718156D+01
      4  -0.158774D+01 -0.178977D+01  0.147640D+01 -0.162184D+02  0.184622D+02
      5  -0.213637D+01  0.961625D+00 -0.647146D+00  0.126577D+01 -0.193304D+01
      6  -0.113699D+01  0.112231D+01 -0.582585D+00 -0.108521D+01  0.141057D+01
               246           247           248           249           250 
      1   0.168516D+00 -0.101762D+01 -0.214951D+02  0.249222D+01 -0.264174D+00
      2   0.231470D+00 -0.968287D+01  0.384450D+02 -0.326579D+01  0.957238D+00
      3  -0.399986D+00  0.107005D+02 -0.169499D+02  0.773571D+00 -0.693064D+00
      4  -0.272563D+01  0.258832D+02 -0.544654D+02  0.644462D+01 -0.370326D+01
      5   0.273109D+01 -0.228365D+01  0.383797D+01 -0.558119D+01  0.203647D+01
      6  -0.147343D+01  0.205887D+01 -0.551109D+01  0.685487D+01 -0.220229D+01
               251           252           253           254           255 
      1   0.161536D+01 -0.168215D+01  0.209202D+02  0.491966D+01 -0.168556D+02
      2  -0.338695D+01  0.300397D+01 -0.112402D+02 -0.212323D+01  0.830479D+01
      3   0.177159D+01 -0.132182D+01 -0.968003D+01 -0.279643D+01  0.855079D+01
      4   0.706696D+01 -0.163163D+01  0.623027D+01  0.509827D+01 -0.770115D+01
      5  -0.334151D+00  0.971054D+00 -0.205187D+02 -0.743979D+01  0.896556D+01
      6   0.317676D+01 -0.168465D+01 -0.297225D+01 -0.987864D+00  0.293630D+00
               256           257           258           259           260 
      1   0.238168D+02  0.126668D+02 -0.117117D+02 -0.579342D+02 -0.118606D+02
      2  -0.121333D+02 -0.434541D+01  0.487630D+01  0.338557D+02  0.605705D+01
      3  -0.116834D+02 -0.832143D+01  0.683537D+01  0.240785D+02  0.580360D+01
      4   0.287547D+02  0.247291D+02 -0.186289D+02 -0.232038D+02 -0.213432D+02
      5  -0.215148D+02 -0.194176D+02  0.328365D+02  0.524146D+02  0.304995D+02
      6  -0.438566D+01 -0.468676D+01  0.794353D+01  0.876197D+01  0.754374D+01
               261           262           263           264           265 
      1   0.215228D+02  0.555590D+01  0.513722D+01  0.134868D+02  0.261623D+02
      2  -0.182748D+02 -0.336376D+01 -0.236497D+01 -0.616516D+01 -0.137818D+02
      3  -0.324801D+01 -0.219214D+01 -0.277225D+01 -0.732159D+01 -0.123806D+02
      4   0.289407D+02  0.477574D+01  0.330495D+01  0.350772D+01  0.332123D+02
      5  -0.655113D+02  0.134533D+02  0.317397D+01  0.221745D+01  0.230053D+02
      6  -0.835279D+01  0.238700D+01  0.170824D+00 -0.555706D+00  0.824325D+01
               266           267           268           269           270 
      1   0.958851D+01  0.631856D+01  0.384873D+02  0.441944D+01  0.113147D+02
      2  -0.197434D+01 -0.390318D+01 -0.231121D+02 -0.366216D+01 -0.144729D+02
      3  -0.761417D+01 -0.241538D+01 -0.153753D+02 -0.757282D+00  0.315816D+01
      4   0.390219D+02  0.296147D+02  0.206851D+02  0.276387D+02  0.336713D+02
      5   0.290971D+02  0.394068D+02  0.427210D+02  0.341125D+02  0.515081D+02
      6   0.106809D+02  0.115892D+02  0.102057D+02  0.108533D+02  0.121616D+02
               271           272           273           274           275 
      1   0.176109D+03 -0.407582D+02  0.147141D+02 -0.827314D+02  0.307540D+02
      2  -0.905562D+02  0.205799D+02 -0.853674D+01  0.412726D+02 -0.138210D+02
      3  -0.855525D+02  0.201783D+02 -0.617734D+01  0.414587D+02 -0.169329D+02
      4  -0.494765D+02  0.235208D+02 -0.454936D+01  0.418654D+02 -0.285825D+02
      5   0.183102D+02 -0.438602D+01  0.176390D+02 -0.877876D+01  0.514322D+01
      6  -0.193183D+01  0.982385D+00 -0.104480D+01  0.196081D+01 -0.126967D+01
               276           277           278           279 
      1  -0.719038D+01  0.186155D+02 -0.479292D+01  0.177766D+02
      2   0.409179D+01 -0.110488D+02  0.279704D+01 -0.104871D+02
      3   0.309859D+01 -0.756665D+01  0.199588D+01 -0.728952D+01
      4   0.538278D+01 -0.575462D+01  0.453696D+01 -0.192350D+01
      5  -0.726945D+01  0.264246D+02 -0.169121D+01  0.560905D+01
      6   0.245900D+01 -0.195151D+01  0.302270D+01 -0.615221D+00
 Leave Link  716 at Thu Aug 12 21:52:25 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.328222D+03  0.162714D+02  0.121978D+02
      2   0.162714D+02  0.172983D+03 -0.382498D+01
      3   0.121978D+02 -0.382498D+01  0.123657D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.973223D+01  0.281194D+02  0.802511D+01
      2  -0.519358D+02  0.101237D+02  0.282145D+02
      3   0.106231D+02  0.619150D+02 -0.730615D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.377304D+03 -0.146895D+02 -0.499194D+02
      2   0.153276D+03  0.183263D+02 -0.519171D+01
      3   0.224029D+03 -0.363683D+01  0.551111D+02
      4  -0.247903D+02 -0.153677D+03  0.233422D+02
      5   0.303307D+02  0.220965D+02  0.668628D+02
      6   0.608712D+01  0.466064D+02 -0.263438D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.435076D+02  0.875472D+01  0.144840D+01 -0.487294D+02 -0.431369D+01
      2   0.875472D+01  0.360490D+01  0.305381D+00 -0.431369D+01 -0.528041D+01
      3   0.144840D+01  0.305381D+00 -0.347772D+00 -0.269703D+01  0.163912D+00
                 6             7             8             9            10 
      1  -0.269703D+01  0.813260D+01  0.129326D+01  0.187083D+01 -0.341500D+02
      2   0.163912D+00  0.129326D+01  0.657442D+00 -0.111852D+01 -0.787608D+01
      3   0.185889D+00  0.187083D+01 -0.111852D+01  0.371658D+00 -0.951061D+00
                11            12            13            14            15 
      1  -0.787608D+01 -0.951061D+00  0.523338D+02  0.519929D+01  0.311603D+01
      2  -0.579396D+00 -0.350377D+00  0.519929D+01  0.624283D+01 -0.116095D+00
      3  -0.350377D+00 -0.954972D-02  0.311603D+01 -0.116095D+00 -0.399330D+00
                16            17            18            19            20 
      1  -0.850717D+01 -0.130022D+01 -0.872088D+00 -0.597182D+02 -0.109936D+02
      2  -0.130022D+01 -0.552292D+00  0.101218D+01 -0.109936D+02 -0.980787D+01
      3  -0.872088D+00  0.101218D+01 -0.124420D+00 -0.125274D+01  0.355908D+00
                21            22            23            24            25 
      1  -0.125274D+01 -0.199353D+02 -0.239919D+01  0.344137D+00 -0.285453D+01
      2   0.355908D+00 -0.239919D+01 -0.477528D+01 -0.597253D+00  0.265494D+00
      3  -0.746954D+00  0.344137D+00 -0.597253D+00 -0.240834D+01  0.120385D+01
                26            27            28            29            30 
      1   0.265494D+00  0.120385D+01  0.614813D+02  0.475126D+01  0.109408D+01
      2  -0.120463D+01 -0.376714D+01  0.475126D+01  0.658542D+01 -0.377605D-01
      3  -0.376714D+01  0.129015D+01  0.109408D+01 -0.377605D-01  0.261385D+01
                31            32            33            34            35 
      1   0.152494D+01  0.469064D+01  0.407948D+00  0.120699D+01  0.800023D+00
      2   0.469064D+01  0.148060D+02 -0.700543D+00  0.800023D+00 -0.268457D+00
      3   0.407948D+00 -0.700543D+00  0.531302D+00  0.688648D+01  0.581109D+00
                36            37            38            39            40 
      1   0.688648D+01  0.723315D+01 -0.810300D+00  0.354951D+00  0.131515D+02
      2   0.581109D+00 -0.810300D+00  0.135502D+02 -0.998951D+00  0.140151D+00
      3   0.742547D+00  0.354951D+00 -0.998951D+00  0.243837D+01  0.657589D+00
                41            42            43            44            45 
      1   0.140151D+00  0.657589D+00 -0.417193D+00  0.214254D+00  0.450746D+01
      2  -0.909326D+01  0.118032D+01  0.214254D+00  0.262094D+01  0.182226D+01
      3   0.118032D+01  0.101913D+01  0.450746D+01  0.182226D+01  0.674863D+00
                46            47            48            49            50 
      1  -0.936839D+01  0.272067D+01 -0.138013D+01  0.346360D+01  0.374443D+01
      2   0.272067D+01 -0.955519D+01  0.216720D+00  0.374443D+01  0.109778D+01
      3  -0.138013D+01  0.216720D+00 -0.151783D+01 -0.279336D+00  0.936685D+00
                51            52            53            54            55 
      1  -0.279336D+00 -0.103097D+01 -0.720213D+00 -0.633376D+00  0.467587D+00
      2   0.936685D+00 -0.720213D+00  0.113278D+00  0.462806D+01 -0.312029D+01
      3   0.180348D+01 -0.633376D+00  0.462806D+01 -0.119611D+01  0.442857D+00
                56            57            58            59            60 
      1  -0.312029D+01  0.442857D+00 -0.492834D+01 -0.465635D+01  0.359833D+00
      2   0.660055D+01 -0.452240D+00 -0.465635D+01 -0.249643D+01 -0.721409D+00
      3  -0.452240D+00  0.222082D+01  0.359833D+00 -0.721409D+00 -0.174723D+01
                61            62            63            64            65 
      1   0.803805D+00  0.556365D+00 -0.471184D+00  0.336258D+00 -0.202323D+01
      2   0.556365D+00 -0.813784D-01 -0.437030D+01 -0.202323D+01  0.106734D+01
      3  -0.471184D+00 -0.437030D+01  0.145515D+01  0.305212D+00 -0.279365D+00
                66            67            68            69            70 
      1   0.305212D+00 -0.200926D+01  0.278613D+01 -0.508768D+00  0.530298D+00
      2  -0.279365D+00  0.278613D+01 -0.781468D+01  0.114606D+01 -0.532011D+00
      3   0.123892D+00 -0.508768D+00  0.114606D+01 -0.853926D+00 -0.664397D-01
                71            72            73            74            75 
      1  -0.532011D+00 -0.664397D-01  0.713656D+01  0.328468D+01  0.304792D+00
      2   0.100605D+01 -0.258547D+00  0.328468D+01  0.279284D+01 -0.189459D-01
      3  -0.258547D+00  0.185321D+00  0.304792D+00 -0.189459D-01  0.490915D+00
                76            77            78            79            80 
      1   0.451088D+01  0.424088D+01 -0.122634D+00  0.275285D+00 -0.370819D+00
      2   0.424088D+01  0.420041D+01 -0.963944D-02 -0.370819D+00 -0.251824D+00
      3  -0.122634D+00 -0.963944D-02  0.544430D+00 -0.353321D+00  0.281005D+00
                81            82            83            84            85 
      1  -0.353321D+00 -0.499792D+00  0.140787D+01 -0.197071D+00  0.521766D+00
      2   0.281005D+00  0.140787D+01 -0.164006D+01  0.266725D+00 -0.656589D+00
      3  -0.183505D+00 -0.197071D+00  0.266725D+00 -0.107534D+00  0.406130D-01
                86            87            88            89            90 
      1  -0.656589D+00  0.406130D-01 -0.222164D+00  0.229499D+00  0.849946D-01
      2   0.111127D+02 -0.108418D+01  0.229499D+00 -0.134901D+01  0.209991D+00
      3  -0.108418D+01  0.921823D+00  0.849946D-01  0.209991D+00 -0.138520D+00
                91            92            93            94            95 
      1  -0.239061D+02 -0.201213D+01 -0.607949D-01 -0.558369D+00 -0.231447D+00
      2  -0.201213D+01  0.335131D+00 -0.621629D+00 -0.231447D+00  0.502397D+01
      3  -0.607949D-01 -0.621629D+00 -0.379149D+01 -0.243032D+01 -0.767686D+00
                96            97            98            99           100 
      1  -0.243032D+01  0.155660D+01 -0.141504D+01 -0.869530D+01 -0.663315D+01
      2  -0.767686D+00 -0.141504D+01 -0.502924D+00 -0.950792D+00  0.283578D+01
      3  -0.106384D+01 -0.869530D+01 -0.950792D+00  0.368642D+00 -0.189210D+01
               101           102           103           104           105 
      1   0.283578D+01 -0.189210D+01  0.891346D+01 -0.135776D+00  0.197999D+01
      2  -0.542780D+00  0.317620D+00 -0.135776D+00 -0.477339D+01 -0.941502D-01
      3   0.317620D+00  0.387348D+01  0.197999D+01 -0.941502D-01  0.288308D+01
               106           107           108           109           110 
      1   0.509400D+01  0.117076D+01  0.602085D+01 -0.792543D+01 -0.174326D+01
      2   0.117076D+01  0.640790D+00  0.201482D+01 -0.174326D+01 -0.339746D+00
      3   0.602085D+01  0.201482D+01 -0.441270D+00  0.945563D+00  0.644053D+00
               111           112           113           114           115 
      1   0.945563D+00 -0.301718D+01 -0.132664D+00  0.166491D+01 -0.121131D+02
      2   0.644053D+00 -0.132664D+00 -0.916651D+00 -0.712642D-01  0.363182D+00
      3   0.171766D+01  0.166491D+01 -0.712642D-01  0.682717D+00  0.563306D+01
               116           117           118           119           120 
      1   0.363182D+00  0.563306D+01 -0.158199D+01 -0.990644D+00  0.102382D+00
      2  -0.110154D+01  0.425053D+00 -0.990644D+00  0.423832D+00 -0.149271D-01
      3   0.425053D+00 -0.104933D+01  0.102382D+00 -0.149271D-01  0.743180D+00
               121           122           123           124           125 
      1  -0.291545D+01  0.185218D+01 -0.118681D+00 -0.465183D+00 -0.103342D+00
      2   0.185218D+01 -0.667833D+01  0.866105D+00 -0.103342D+00  0.744090D+00
      3  -0.118681D+00  0.866105D+00 -0.154771D+01  0.119431D+01 -0.986912D+00
               126           127           128           129           130 
      1   0.119431D+01  0.161584D+02 -0.162421D+01  0.388938D+01 -0.433271D+01
      2  -0.986912D+00 -0.162421D+01  0.125241D+01 -0.259742D+00  0.170691D+01
      3   0.742729D+00  0.388938D+01 -0.259742D+00  0.223459D+01 -0.133113D+01
               131           132           133           134           135 
      1   0.170691D+01 -0.133113D+01  0.132082D+01 -0.347123D+00  0.127930D+01
      2  -0.528719D+00  0.459954D+00 -0.347123D+00 -0.526871D-01 -0.467353D+00
      3   0.459954D+00 -0.117732D+01  0.127930D+01 -0.467353D+00  0.741877D+00
               136           137           138           139           140 
      1  -0.470731D+00 -0.401587D+00  0.961125D+00 -0.120857D+01  0.703774D-01
      2  -0.401587D+00 -0.459638D+00  0.175962D+00  0.703774D-01 -0.146279D+00
      3   0.961125D+00  0.175962D+00 -0.343688D+01 -0.262272D+00  0.115048D+01
               141           142           143           144           145 
      1  -0.262272D+00  0.392946D+00 -0.953717D-01 -0.481274D+00  0.107760D+01
      2   0.115048D+01 -0.953717D-01  0.977115D+00 -0.866853D+00  0.765222D+00
      3  -0.196622D+01 -0.481274D+00 -0.866853D+00  0.764679D+01  0.132884D+00
               146           147           148           149           150 
      1   0.765222D+00  0.132884D+00  0.255909D+01  0.127649D+01  0.970599D+00
      2   0.509954D+00  0.422567D-01  0.127649D+01  0.642279D+01  0.115212D+01
      3   0.422567D-01 -0.378796D+00  0.970599D+00  0.115212D+01  0.175962D+01
               151           152           153           154           155 
      1  -0.390295D+00  0.906532D-01 -0.216631D+00  0.217714D+02  0.229545D+01
      2   0.906532D-01  0.331803D-01  0.614905D+00  0.229545D+01  0.165671D+01
      3  -0.216631D+00  0.614905D+00  0.364171D+00 -0.173795D+01 -0.146585D+00
               156           157           158           159           160 
      1  -0.173795D+01  0.527174D+01  0.424488D+01 -0.842905D+00 -0.220199D+01
      2  -0.146585D+00  0.424488D+01  0.213570D+01 -0.345889D+00 -0.472225D+00
      3   0.279851D+01 -0.842905D+00 -0.345889D+00  0.745207D+00  0.254990D+01
               161           162           163           164           165 
      1  -0.472225D+00  0.254990D+01  0.164204D+02 -0.742293D-02 -0.483802D+01
      2   0.353520D+00  0.639705D+00 -0.742293D-02  0.993256D-01  0.562633D+00
      3   0.639705D+00 -0.377786D-02 -0.483802D+01  0.562633D+00  0.117122D+01
               166           167           168           169           170 
      1   0.351556D+01 -0.362738D-01 -0.597823D+00 -0.861686D+00  0.762341D+00
      2  -0.362738D-01 -0.648287D+00 -0.149765D+01  0.762341D+00 -0.564868D+00
      3  -0.597823D+00 -0.149765D+01 -0.832201D-01  0.683741D+00 -0.100384D+01
               171           172           173           174           175 
      1   0.683741D+00 -0.124053D+02  0.207950D+00  0.260798D+01 -0.152167D+01
      2  -0.100384D+01  0.207950D+00 -0.353863D+00 -0.825309D+00  0.272344D+00
      3  -0.748459D+01  0.260798D+01 -0.825309D+00 -0.320192D+01  0.164225D+00
               176           177           178           179           180 
      1   0.272344D+00  0.164225D+00  0.758504D+01 -0.634050D+00 -0.265349D+01
      2  -0.863053D+00 -0.875468D+00 -0.634050D+00 -0.105934D+01  0.475542D-01
      3  -0.875468D+00 -0.731018D+00 -0.265349D+01  0.475542D-01 -0.392924D+00
               181           182           183           184           185 
      1  -0.629501D+01 -0.252300D+00  0.117547D+00 -0.166446D+02 -0.115203D+01
      2  -0.252300D+00 -0.113174D+02  0.130643D+01 -0.115203D+01  0.584526D+01
      3   0.117547D+00  0.130643D+01 -0.291710D+01 -0.152737D+01 -0.137763D+01
               186           187           188           189           190 
      1  -0.152737D+01  0.210907D+01 -0.167190D+00 -0.437910D+01 -0.396356D+02
      2  -0.137763D+01 -0.167190D+00 -0.216307D+01 -0.250721D+01 -0.545067D+01
      3  -0.140753D+01 -0.437910D+01 -0.250721D+01 -0.194232D+00 -0.117835D+01
               191           192           193           194           195 
      1  -0.545067D+01 -0.117835D+01  0.929143D+00 -0.418405D+01 -0.844275D-01
      2  -0.108463D+02  0.391215D+00 -0.418405D+01 -0.121061D+02  0.135019D+01
      3   0.391215D+00 -0.408346D+01 -0.844275D-01  0.135019D+01  0.504727D+00
               196           197           198           199           200 
      1  -0.208936D+01 -0.799417D+00 -0.773155D+01  0.436574D+02  0.107406D+02
      2  -0.799417D+00  0.307333D+00 -0.479321D+00  0.107406D+02  0.779934D+01
      3  -0.773155D+01 -0.479321D+00 -0.143651D+01  0.149701D+01 -0.603232D+00
               201           202           203           204           205 
      1   0.149701D+01  0.161511D+02  0.307536D+01  0.548880D+00  0.196539D+01
      2  -0.603232D+00  0.307536D+01  0.559183D+01  0.378345D+00  0.976491D-01
      3   0.768941D+00  0.548880D+00  0.378345D+00  0.256431D+01 -0.214081D+00
               206           207           208           209           210 
      1   0.976491D-01 -0.214081D+00  0.807686D+01  0.399951D+01  0.240413D+00
      2   0.110638D+01  0.469061D+01  0.399951D+01  0.405328D+01 -0.983611D-01
      3   0.469061D+01 -0.130550D+01  0.240413D+00 -0.983611D-01  0.199387D+00
               211           212           213           214           215 
      1  -0.466342D+01 -0.401505D+01  0.191461D+00  0.113112D+01  0.723615D+00
      2  -0.401505D+01  0.107953D+01 -0.522990D+00  0.723615D+00  0.374119D+00
      3   0.191461D+00 -0.522990D+00 -0.139909D+01  0.217578D+00  0.758257D+00
               216           217           218           219           220 
      1   0.217578D+00 -0.258549D+01 -0.477422D+01 -0.675749D-01 -0.153566D+01
      2   0.758257D+00 -0.477422D+01 -0.801184D+00 -0.625839D+00  0.376117D+01
      3   0.410048D-01 -0.675749D-01 -0.625839D+00  0.969579D+00 -0.763638D+00
               221           222           223           224           225 
      1   0.376117D+01 -0.763638D+00 -0.656461D+00 -0.814928D+00  0.370565D+01
      2   0.126322D+01  0.134283D+01 -0.814928D+00  0.834116D+00  0.461658D+01
      3   0.134283D+01  0.639395D+01  0.370565D+01  0.461658D+01 -0.110291D+01
               226           227           228           229           230 
      1   0.407072D-01 -0.138199D+01  0.161244D+00 -0.210768D+00  0.575992D-01
      2  -0.138199D+01  0.159084D+01 -0.286042D+00  0.575992D-01 -0.105347D+02
      3   0.161244D+00 -0.286042D+00  0.951744D-01  0.280948D-01  0.111666D+01
               231           232           233           234           235 
      1   0.280948D-01 -0.121455D-01 -0.115195D+00 -0.478987D-01 -0.789384D+01
      2   0.111666D+01 -0.115195D+00  0.124951D+01 -0.205346D+00 -0.347528D+01
      3  -0.890499D+00 -0.478987D-01 -0.205346D+00  0.114460D+00 -0.246576D+00
               236           237           238           239           240 
      1  -0.347528D+01 -0.246576D+00 -0.514934D+01 -0.438043D+01  0.182320D+00
      2  -0.271403D+01  0.186733D-01 -0.438043D+01 -0.421032D+01  0.696410D-01
      3   0.186733D-01 -0.262237D+00  0.182320D+00  0.696410D-01 -0.444395D+00
               241           242           243           244           245 
      1  -0.203498D+00  0.256546D+00  0.481363D+00 -0.705883D+00  0.221754D+01
      2   0.256546D+00  0.214364D+00 -0.832460D-01  0.221754D+01 -0.175035D+01
      3   0.481363D+00 -0.832460D-01  0.148076D+00 -0.253673D+00  0.325185D+00
               246           247           248           249           250 
      1  -0.253673D+00  0.272683D+01 -0.347737D+01  0.471606D+00 -0.302245D+00
      2   0.325185D+00 -0.347737D+01  0.901286D+01 -0.109963D+01  0.534898D+00
      3  -0.290944D+00  0.471606D+00 -0.109963D+01  0.972148D+00 -0.234479D+00
               251           252           253           254           255 
      1   0.534898D+00 -0.234479D+00 -0.737432D+00 -0.277028D+00  0.161708D+01
      2  -0.109214D+01  0.197174D+00 -0.277028D+00 -0.256666D-02  0.495341D+00
      3   0.197174D+00 -0.147949D+00  0.161708D+01  0.495341D+00 -0.415374D+00
               256           257           258           259           260 
      1  -0.248612D+01 -0.209591D+01  0.163349D+01  0.629653D+01  0.178304D+01
      2  -0.209591D+01 -0.188112D+01  0.157025D+01  0.178304D+01  0.170792D+01
      3   0.163349D+01  0.157025D+01 -0.258370D+01 -0.401173D+01 -0.251140D+01
               261           262           263           264           265 
      1  -0.401173D+01  0.578395D+00 -0.210377D+00 -0.952362D+00 -0.304681D+01
      2  -0.251140D+01 -0.210377D+00  0.195457D+00 -0.123934D+00 -0.249276D+01
      3   0.539881D+01 -0.952362D+00 -0.123934D+00  0.152774D+00 -0.185418D+01
               266           267           268           269           270 
      1  -0.249276D+01 -0.185418D+01 -0.444665D+01 -0.165778D+01 -0.343933D+01
      2  -0.319539D+01 -0.260211D+01 -0.165778D+01 -0.235460D+01 -0.301821D+01
      3  -0.260211D+01 -0.330322D+01 -0.343933D+01 -0.301821D+01 -0.468037D+01
               271           272           273           274           275 
      1  -0.134314D+02  0.344329D+01 -0.121450D+01  0.731951D+01 -0.275923D+01
      2   0.344329D+01 -0.140721D+01  0.319139D+00 -0.275923D+01  0.210753D+01
      3  -0.121450D+01  0.319139D+00 -0.110450D+01  0.658794D+00 -0.399968D+00
               276           277           278           279 
      1   0.658794D+00 -0.162587D+01  0.403339D+00 -0.181811D+01
      2  -0.399968D+00  0.403339D+00 -0.341405D+00  0.557078D-01
      3   0.494778D+00 -0.181811D+01  0.557078D-01 -0.404336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.975148D+00 -0.379103D+01  0.136883D+00 -0.323534D+01 -0.212333D+01
      2  -0.127552D+02  0.404235D+01  0.999351D-01  0.147699D+02  0.292354D+01
      3  -0.731282D+01  0.465157D+02 -0.575024D+01  0.450985D+02  0.232476D+02
                 6             7             8             9            10 
      1   0.799445D-01  0.414515D+01  0.641822D+01 -0.602841D+00 -0.189766D+01
      2  -0.190984D+00 -0.223694D+02 -0.253219D+01 -0.160592D+01  0.160397D+02
      3   0.564775D-01 -0.123701D+01  0.187710D+01 -0.213795D+01  0.241479D+02
                11            12            13            14            15 
      1  -0.500537D+01 -0.300157D+00 -0.452506D+01  0.474275D+00  0.634305D+00
      2   0.784123D+01 -0.535415D+01 -0.823361D+01  0.132755D+01  0.133808D+00
      3   0.544530D+02 -0.395594D+01  0.634881D+02  0.187911D+02  0.274842D+01
                16            17            18            19            20 
      1   0.326844D+01  0.623424D+01 -0.542417D+00 -0.173548D+01  0.754778D+00
      2  -0.222570D+02 -0.542991D+00 -0.181018D+01  0.233890D+02 -0.369663D+00
      3  -0.137008D+01  0.301157D+01  0.127259D+01  0.237789D+02 -0.340816D+02
                21            22            23            24            25 
      1  -0.114882D+01  0.189784D+01 -0.233423D+01 -0.344211D+01  0.485375D+01
      2  -0.109968D+01  0.656095D+01  0.950143D+00 -0.258787D+01 -0.186618D+02
      3   0.570495D+01  0.110622D+02  0.513150D+01  0.517486D+00  0.140776D+01
                26            27            28            29            30 
      1  -0.839243D+00 -0.130782D+01 -0.305163D+01 -0.860676D+00  0.534721D+00
      2  -0.783347D+01  0.502472D+00 -0.229293D+02 -0.883075D+00  0.197477D+01
      3  -0.212485D+01  0.465265D+01  0.456785D+00  0.879840D+01 -0.166155D+01
                31            32            33            34            35 
      1  -0.498758D+01  0.609943D+01  0.215809D+01  0.258630D+01  0.151024D+02
      2   0.268799D+01 -0.176050D+01  0.209157D+01 -0.188136D+02 -0.240768D+01
      3   0.324849D+02  0.419417D+01 -0.120920D+01  0.353213D+00  0.146693D+01
                36            37            38            39            40 
      1  -0.112927D+01 -0.126383D+01  0.190902D+01 -0.585202D+01 -0.942765D+00
      2  -0.177189D+01  0.359823D+01  0.215507D+00  0.331701D+01 -0.833555D+01
      3  -0.201905D+01  0.349579D+02  0.139337D+01  0.660226D+00 -0.120581D+02
                41            42            43            44            45 
      1  -0.222281D+01  0.116943D+00 -0.162937D+02  0.973776D+01 -0.239793D+01
      2   0.178978D+01  0.657562D+00 -0.759379D+01  0.681903D+01 -0.135740D+01
      3   0.516973D+01  0.921617D+00  0.300997D+01  0.144865D+01  0.631378D+01
                46            47            48            49            50 
      1   0.411791D+01  0.123886D+01  0.508773D+01  0.272677D+01  0.128257D+01
      2  -0.585575D+01 -0.549993D+01  0.212157D+00 -0.462317D+01 -0.373037D+01
      3  -0.650555D+02 -0.356989D+02  0.445203D+00 -0.116311D+02 -0.259932D+02
                51            52            53            54            55 
      1  -0.377091D+01  0.578639D+01 -0.449911D+01  0.340155D+01  0.138675D+01
      2   0.865832D+00 -0.185316D+02  0.267042D+01 -0.219128D+01  0.297993D+00
      3   0.710915D+00 -0.185904D+01 -0.136744D+01 -0.574299D+01 -0.316116D+02
                56            57            58            59            60 
      1   0.534163D+01  0.461841D+01 -0.767083D-01  0.113833D+01 -0.374949D+01
      2  -0.522542D+01 -0.652109D+01 -0.124107D+01 -0.867162D+00  0.379324D+01
      3  -0.373378D+02  0.410420D+01 -0.151161D+01 -0.288895D+02  0.132440D+01
                61            62            63            64            65 
      1   0.284693D+01 -0.397275D+01  0.169801D+01 -0.554067D+00 -0.150775D-01
      2  -0.240758D+02  0.694491D+01 -0.470234D+01  0.352579D+00  0.516939D+00
      3   0.113608D+01 -0.230213D+01 -0.101824D+02  0.977050D+00  0.258462D+00
                66            67            68            69            70 
      1   0.755011D+00  0.611269D+00 -0.193989D+01 -0.370507D+01 -0.141746D+00
      2   0.151476D+00  0.851350D+00  0.150556D+00 -0.128552D+01 -0.202487D+01
      3   0.950802D-01  0.417831D+01  0.570196D+01 -0.674182D+00 -0.144077D+00
                71            72            73            74            75 
      1   0.256807D+01  0.407177D+00 -0.725626D+00  0.241340D+00 -0.273311D+01
      2   0.958271D+00 -0.614190D-02 -0.790706D+00 -0.741091D+00  0.230055D+01
      3  -0.818766D+00 -0.498539D+00  0.114060D+02  0.101759D+00  0.700246D+00
                76            77            78            79            80 
      1   0.129415D+01  0.944287D+00 -0.252621D+01  0.202200D+01  0.982005D+00
      2  -0.155649D+01 -0.999863D+00  0.258187D+01 -0.252428D+01  0.229875D+00
      3   0.174133D+01 -0.164487D+01 -0.195785D+00  0.224269D+01 -0.139058D+00
                81            82            83            84            85 
      1   0.350395D+00  0.708118D+00 -0.684195D+00  0.967564D+00 -0.289559D+00
      2  -0.425126D+00 -0.455329D+00  0.556109D-01  0.508461D+00  0.351124D+00
      3  -0.832686D+00 -0.462655D+01  0.218352D+01 -0.602940D+00  0.489771D+01
                86            87            88            89            90 
      1   0.269630D+01 -0.516746D+01 -0.102184D+01  0.192233D+01  0.307257D+00
      2  -0.367141D+00 -0.645166D+00 -0.744021D+00 -0.106535D+01  0.320973D+00
      3  -0.370801D+01  0.583389D+00 -0.100229D+01  0.112929D+01  0.111022D+01
                91            92            93            94            95 
      1  -0.159385D+01 -0.356162D+00 -0.139127D+01 -0.248225D+01  0.257651D+01
      2   0.166646D+02 -0.130705D+01 -0.923734D+01 -0.623803D+01 -0.244464D+01
      3   0.678633D+01 -0.766356D+01  0.224789D+01  0.984193D+01 -0.232731D+02
                96            97            98            99           100 
      1  -0.340000D+01 -0.514644D+01  0.285406D+01 -0.728694D+00  0.583173D+01
      2  -0.164399D+01 -0.409900D+02 -0.249116D+01  0.557711D+01  0.106404D+02
      3   0.436214D+01  0.495318D+01  0.404191D+01  0.645102D+01 -0.185921D+02
               101           102           103           104           105 
      1   0.740869D+00 -0.509854D-01 -0.206204D+01 -0.120840D+02 -0.383278D+01
      2  -0.281243D+01  0.238470D+02 -0.175800D+01  0.835837D+00  0.968430D+01
      3  -0.187889D+01 -0.320052D+01  0.447099D+01  0.257776D+02  0.707600D+00
               106           107           108           109           110 
      1   0.228531D+01  0.186833D+01  0.713177D+01  0.793756D+01  0.324135D+01
      2   0.179120D+02  0.736822D+01 -0.121044D+02 -0.171750D+02  0.102291D+01
      3  -0.537943D+01 -0.536549D+00 -0.963499D+01  0.355233D+01  0.153895D+02
               111           112           113           114           115 
      1   0.685019D+01  0.143345D+02 -0.747027D+00 -0.163354D+02  0.692059D+01
      2   0.312177D+01  0.566232D+01 -0.730390D+00 -0.642817D+01  0.168981D+02
      3  -0.519959D+00  0.199952D+02  0.125538D+02 -0.303830D+01  0.744049D+00
               116           117           118           119           120 
      1  -0.513686D+01 -0.692529D+00 -0.432459D+00  0.479453D+00  0.233262D+00
      2  -0.138180D+01 -0.780117D+00  0.136664D+01  0.488150D+00  0.315919D+01
      3  -0.257255D+01 -0.426642D+01  0.696434D+01 -0.159660D+01 -0.183836D+00
               121           122           123           124           125 
      1   0.707448D+00 -0.409612D+01 -0.214001D+01  0.263304D+00  0.841709D+00
      2   0.106539D+01  0.185094D+01 -0.489463D+01  0.233608D+01 -0.276711D+01
      3  -0.151656D+01  0.243922D+02 -0.320256D+01  0.628788D+00 -0.261869D+01
               126           127           128           129           130 
      1   0.453539D+00 -0.320076D+01  0.372442D+01 -0.144393D+00  0.350395D+01
      2   0.166312D+01 -0.114380D+02  0.202852D+01  0.656105D+01  0.183201D+01
      3   0.251839D+01  0.885509D+01 -0.887116D+01  0.154827D+01 -0.709550D+01
               131           132           133           134           135 
      1  -0.616054D+00 -0.270113D+00 -0.102155D+01  0.842655D+00 -0.105270D+01
      2  -0.109759D+01 -0.351479D+01  0.245023D+01 -0.108535D+01  0.629640D+00
      3   0.141388D+01 -0.180452D+01  0.940100D+00 -0.177259D+01  0.222301D+01
               136           137           138           139           140 
      1  -0.169647D+01 -0.247728D+01  0.701302D+00 -0.734937D+00 -0.623457D+00
      2   0.767220D+01  0.187935D+01 -0.149788D+02  0.159308D+01  0.439808D+01
      3   0.214923D+01  0.174342D+01 -0.834984D+00  0.132037D+01  0.269550D+00
               141           142           143           144           145 
      1   0.132683D+01  0.400258D-01  0.418601D+01 -0.282291D+01  0.262961D+01
      2  -0.746864D+01 -0.660211D+01 -0.386303D+01  0.312688D+02 -0.813141D+00
      3  -0.421254D+01  0.504701D+00 -0.316279D+01  0.377540D+01 -0.456993D+01
               146           147           148           149           150 
      1   0.799049D+00  0.366292D+00  0.114828D+01  0.145765D+02 -0.106790D+01
      2  -0.114789D+01 -0.132747D+01 -0.530283D+00  0.218783D+01  0.564175D+01
      3  -0.162031D+01 -0.748238D+00 -0.548425D+00 -0.285619D+02 -0.358536D+01
               151           152           153           154           155 
      1   0.469705D+00  0.698951D+00  0.117091D+01 -0.609497D+01 -0.330221D+01
      2  -0.109471D+01  0.190509D+01  0.164968D+01  0.700049D+01  0.928526D+00
      3  -0.186740D+01  0.540397D+00 -0.270305D+01 -0.142283D+02 -0.235127D+02
               156           157           158           159           160 
      1  -0.226615D+01 -0.962705D+01 -0.255667D+01  0.782123D+00 -0.404143D+00
      2   0.228632D+02 -0.513453D+01  0.139064D+01  0.778993D+01  0.680125D+01
      3   0.283592D+00 -0.183417D+02 -0.147776D+02  0.230477D+01  0.137369D+01
               161           162           163           164           165 
      1   0.335186D+01 -0.831368D+00 -0.848742D+01 -0.176147D+01  0.223605D-01
      2   0.271559D+01  0.499119D+00  0.129650D+02  0.326359D+01  0.173703D+01
      3   0.197760D+01 -0.321017D+01 -0.105540D+02 -0.391438D+01  0.613470D+00
               166           167           168           169           170 
      1  -0.575712D+01  0.200461D+01  0.473118D+01  0.221713D+01  0.857635D+01
      2   0.407798D+01 -0.618532D+01  0.988425D+00 -0.809476D+01 -0.317241D+01
      3  -0.258425D+01  0.237821D+01  0.761375D+01 -0.869256D+00  0.339823D+01
               171           172           173           174           175 
      1  -0.368071D+01  0.735495D+01  0.131783D+01 -0.273742D+01  0.588657D+01
      2  -0.263121D+02 -0.240063D+02 -0.312425D+01 -0.676713D+01 -0.414049D+01
      3   0.426693D+01  0.105497D+02  0.220900D+01  0.265142D+00  0.610752D+01
               176           177           178           179           180 
      1  -0.791626D+00 -0.247659D+01 -0.330224D+01 -0.599637D+00  0.113738D+01
      2  -0.307101D+01 -0.175183D+01 -0.112109D+01 -0.335896D+00 -0.322185D+01
      3   0.107054D+01  0.155660D+01 -0.359118D+01 -0.411799D+00  0.170586D+01
               181           182           183           184           185 
      1   0.280120D+00 -0.420835D+01 -0.590489D+01 -0.152633D+00  0.119879D+01
      2   0.244612D+01  0.163962D+01  0.979340D+01  0.109089D+01  0.235349D+01
      3   0.162809D+02  0.822066D+01 -0.130427D+01 -0.164622D+02  0.769430D+01
               186           187           188           189           190 
      1  -0.119748D+01 -0.134176D+02  0.711809D+01 -0.275990D+01 -0.242081D+01
      2   0.410796D+01 -0.230551D+01  0.124430D+02  0.536620D-01  0.120648D+02
      3  -0.224818D+01  0.198438D+01 -0.747407D+00  0.766214D+00  0.267846D+02
               191           192           193           194           195 
      1  -0.525050D+01  0.176258D+01 -0.513243D+01 -0.113068D+01  0.341796D+01
      2   0.495681D+01  0.210954D+01  0.710463D+01  0.239814D+01 -0.715183D+00
      3   0.248739D+02 -0.696013D+00  0.530394D+02  0.110463D+02  0.308544D+01
               196           197           198           199           200 
      1  -0.917081D-01  0.146299D+02 -0.194181D+01  0.638590D+00  0.499247D+01
      2   0.336384D+01 -0.499628D+01  0.286238D+01 -0.113360D+02 -0.647888D+01
      3  -0.382430D+01  0.262792D+01 -0.497922D+00 -0.579744D+01 -0.472430D+02
               201           202           203           204           205 
      1  -0.469747D+00  0.186592D+01  0.187398D+01 -0.334714D+01  0.581965D+01
      2   0.269574D+01 -0.627204D+01 -0.470183D+01 -0.564769D+01 -0.202250D+02
      3   0.350605D+01 -0.791116D+01 -0.126301D+02  0.186870D+01  0.208840D+01
               206           207           208           209           210 
      1   0.128965D+01  0.108437D+01  0.203507D+01  0.452900D+01 -0.151880D+01
      2  -0.173688D+02  0.233563D+01 -0.344959D+01 -0.418927D+01  0.147223D+02
      3   0.401956D+00  0.893017D+01 -0.129642D+02 -0.445197D+02  0.174832D+01
               211           212           213           214           215 
      1  -0.601347D+00 -0.161068D+01 -0.458386D+01 -0.277782D+01 -0.168435D+01
      2  -0.539190D+00  0.302680D+01  0.666705D+01 -0.767758D+01 -0.177227D+01
      3  -0.159313D+01  0.140878D+02 -0.224835D+01 -0.719528D+00 -0.488511D+01
               216           217           218           219           220 
      1   0.261005D+00  0.411082D+00 -0.184221D+01  0.127040D+01 -0.114959D+01
      2   0.300867D+00  0.156451D+00  0.474205D+01 -0.755852D+01  0.473945D+01
      3   0.355075D+01 -0.297843D+02  0.164990D+02 -0.599439D+01  0.365360D+02
               221           222           223           224           225 
      1  -0.746659D+00  0.308221D+01  0.129562D+02  0.491070D+01 -0.149628D+01
      2  -0.632517D+01 -0.413832D+02 -0.278388D+02 -0.305967D+02  0.782502D+01
      3   0.229768D+02  0.861399D+01 -0.511396D+01  0.618185D+01  0.308046D+02
               226           227           228           229           230 
      1   0.147602D+00 -0.173537D+00  0.881982D+00  0.350783D-01 -0.630626D+00
      2  -0.715015D+00  0.863865D+00  0.256366D+00  0.372525D+00 -0.222279D+01
      3  -0.631077D+01  0.441077D+01 -0.101510D+01  0.377876D+01 -0.212333D+02
               231           232           233           234           235 
      1  -0.454803D+01  0.206910D-01  0.291163D+01  0.179820D+00 -0.117909D+01
      2   0.926413D+00 -0.508480D-01 -0.402490D+00  0.833112D-01  0.246440D+01
      3   0.236225D+01 -0.936486D+00  0.310288D+01  0.293920D+00  0.550992D+01
               236           237           238           239           240 
      1  -0.366968D+00 -0.181522D+01  0.768384D-01 -0.143804D+00 -0.236068D+01
      2   0.389064D+00  0.205943D+01 -0.895521D-01  0.120181D+00  0.289443D+01
      3  -0.542617D+01  0.769962D+00 -0.587871D+01 -0.105803D+02  0.775962D-01
               241           242           243           244           245 
      1   0.244797D+01  0.937314D+00  0.291170D+00  0.122446D+00 -0.235464D+00
      2  -0.317791D+01 -0.315715D-01 -0.707994D+00  0.626205D+00 -0.720770D+00
      3   0.177466D+01  0.635607D+00 -0.112211D+01  0.391387D+01 -0.273753D+01
               246           247           248           249           250 
      1   0.985000D+00 -0.351241D+00  0.555106D-01 -0.408414D+01 -0.394554D+00
      2   0.123161D+01 -0.872494D+00  0.283729D+01 -0.318464D+01 -0.204380D+01
      3   0.548886D+00 -0.219213D+01  0.216287D+02 -0.241670D+01  0.816981D+00
               251           252           253           254           255 
      1   0.179755D+01  0.325012D+00 -0.359060D+00  0.217565D+00 -0.113744D+00
      2   0.176659D+00  0.243450D+00 -0.106188D+02 -0.296176D+01  0.339540D+01
      3  -0.247424D+01  0.523968D-02 -0.389242D+01 -0.283110D+01  0.285330D+01
               256           257           258           259           260 
      1   0.160251D+01  0.994473D+00 -0.274523D+01 -0.381359D+01  0.102505D+01
      2  -0.849731D+01 -0.976006D+01  0.165121D+02  0.204865D+02  0.164670D+02
      3  -0.126583D+02 -0.166503D+02  0.100693D+02  0.991811D+01  0.141120D+02
               261           262           263           264           265 
      1   0.452535D+01  0.124253D+01 -0.435616D-01  0.767633D+00 -0.465991D+00
      2  -0.333497D+02  0.657022D+01  0.740786D-02 -0.339452D+00  0.762984D+01
      3  -0.167201D+02 -0.373860D+01 -0.904027D+00 -0.236721D+00 -0.144277D+02
               266           267           268           269           270 
      1   0.115866D+01 -0.239122D+01 -0.191588D+01  0.199851D+01 -0.272775D+01
      2   0.139746D+02  0.195879D+02  0.154628D+02  0.179563D+02  0.263199D+02
      3  -0.253196D+02 -0.159121D+02 -0.887511D+01 -0.173802D+02 -0.192516D+02
               271           272           273           274           275 
      1  -0.112604D+01  0.846414D+00  0.505402D+00  0.783579D+00 -0.762964D+00
      2   0.412215D+01 -0.133362D+01  0.889325D+01 -0.232767D+01  0.174851D+01
      3   0.238316D+02 -0.137103D+02  0.251846D+01 -0.175218D+02  0.138705D+02
               276           277           278           279 
      1  -0.101476D+01 -0.107056D+01  0.425940D+00  0.816592D-01
      2  -0.358184D+01  0.899845D+01 -0.142237D+00  0.211317D+01
      3  -0.263895D+01  0.291239D+01 -0.263978D+01  0.179241D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.886350D+02 -0.370762D+02 -0.124441D+01  0.945733D+02 -0.715381D+01
      2   0.402073D+02  0.191671D+02  0.780488D+00 -0.439638D+02  0.105287D+02
      3   0.484278D+02  0.179091D+02  0.463918D+00 -0.506095D+02 -0.337488D+01
      4  -0.319844D+02  0.107890D+01 -0.185666D+01 -0.267993D+01  0.779071D+01
      5   0.155956D+01 -0.142162D+01  0.598743D+00 -0.333632D+01 -0.302736D+01
      6   0.152051D+01  0.146220D+01  0.932704D-01 -0.344423D+01 -0.319864D+01
                 6             7             8             9            10 
      1   0.648545D+01 -0.196682D+02 -0.307693D+01 -0.113997D+02  0.758736D+02
      2  -0.483551D+01  0.853054D+01  0.164525D+01 -0.266184D+00 -0.253558D+02
      3  -0.164994D+01  0.111377D+02  0.143169D+01  0.116658D+02 -0.505178D+02
      4  -0.133136D+01 -0.225404D+01 -0.848230D+00 -0.107843D+00  0.107604D+02
      5  -0.998429D+00  0.203613D+01  0.149406D+01 -0.161294D+01  0.191371D+01
      6  -0.477666D+00 -0.282026D+01  0.460466D+01  0.113238D+00 -0.528991D+01
                11            12            13            14            15 
      1  -0.192187D+01  0.741590D+01 -0.110173D+03 -0.194538D+02 -0.681722D+01
      2   0.201387D+01 -0.194516D+01  0.481823D+02  0.184630D+02  0.101701D+01
      3  -0.920067D-01 -0.547074D+01  0.619909D+02  0.990772D+00  0.580021D+01
      4  -0.666995D+01  0.517226D+00 -0.179931D+02 -0.145749D+02  0.552105D+00
      5  -0.195510D+01 -0.999259D+01  0.535517D+01  0.271635D+01  0.128178D+01
      6  -0.751970D+00 -0.406143D-01  0.245519D+01  0.246074D+00 -0.195830D+01
                16            17            18            19            20 
      1   0.192216D+02  0.108811D+01 -0.838641D+01  0.665788D+02  0.429315D+02
      2  -0.744166D+01 -0.136029D+01 -0.132081D+01 -0.240518D+02 -0.253779D+02
      3  -0.117799D+02  0.272184D+00  0.970722D+01 -0.425270D+02 -0.175536D+02
      4   0.307201D+01  0.116194D+00 -0.246197D+01  0.363099D+02 -0.753731D+01
      5  -0.137157D+01 -0.242187D+01 -0.228747D+01 -0.475328D+01  0.129190D+01
      6  -0.256722D+01  0.419927D+01  0.117867D+01 -0.431137D+01 -0.523709D+01
                21            22            23            24            25 
      1   0.467210D+01 -0.106088D+02  0.229824D+02 -0.995450D+00  0.864939D+01
      2  -0.147045D+01  0.210876D+02 -0.281531D+02  0.484602D+01 -0.507589D+01
      3  -0.320166D+01 -0.104787D+02  0.517069D+01 -0.385057D+01 -0.357350D+01
      4   0.223211D+01  0.172666D+02  0.219597D+01 -0.169316D+01  0.380277D+01
      5  -0.766543D+01 -0.169755D+01 -0.291250D+01 -0.902393D+01  0.117266D+02
      6   0.805167D+00 -0.532328D+01  0.454755D+01  0.605332D+01 -0.238186D+01
                26            27            28            29            30 
      1   0.473955D+01 -0.127805D+02  0.155550D+01 -0.228893D+01 -0.602539D+01
      2   0.314833D+01 -0.150668D+01 -0.268779D+02  0.101512D+01  0.760042D+00
      3  -0.788789D+01  0.142872D+02  0.253224D+02  0.127381D+01  0.526535D+01
      4  -0.291936D+01 -0.542179D+01 -0.237574D+02  0.104675D+02 -0.492290D+00
      5  -0.899069D+01  0.377115D+00  0.961292D+01  0.203316D+01  0.119554D+02
      6   0.121956D+02 -0.302379D+01  0.735171D+01  0.299642D+01 -0.256135D+01
                31            32            33            34            35 
      1  -0.491515D+02 -0.595986D+02  0.611291D+01  0.151367D+00  0.403840D+01
      2   0.388644D+02  0.513710D+02 -0.668222D+01 -0.542309D+01 -0.506641D+01
      3   0.102872D+02  0.822759D+01  0.569314D+00  0.527172D+01  0.102802D+01
      4  -0.315859D+02 -0.870183D+00 -0.106053D+01  0.524147D+01 -0.257487D+00
      5   0.582828D+01 -0.807573D+00  0.452530D+01  0.344258D+02  0.346408D+01
      6  -0.397039D+01  0.965848D+00 -0.396535D+01 -0.464775D+01  0.315010D+01
                36            37            38            39            40 
      1  -0.150452D+01 -0.176711D+02 -0.615664D+02  0.264032D+01  0.377467D+02
      2  -0.102189D+02  0.100886D+02  0.465360D+02 -0.173198D+01 -0.412695D+02
      3   0.117234D+02  0.758248D+01  0.150304D+02 -0.908339D+00  0.352278D+01
      4  -0.252306D+01 -0.846288D+01 -0.599458D+01 -0.439918D+00  0.726356D+01
      5   0.595036D+00  0.138605D+01 -0.335077D+01  0.830369D+01  0.377480D+01
      6   0.209840D+01 -0.336836D+01  0.338910D+01  0.109690D+02  0.871801D+01
                41            42            43            44            45 
      1   0.356489D+02 -0.487768D+01 -0.829624D+01 -0.125950D+02 -0.997098D+01
      2  -0.318678D+02  0.157260D+01  0.736211D+01  0.848932D+01 -0.469966D+00
      3  -0.378118D+01  0.330508D+01  0.934127D+00  0.410572D+01  0.104409D+02
      4  -0.136422D+02  0.363141D+01 -0.217847D+01  0.190086D+01  0.900197D+01
      5   0.526982D+01  0.615675D+01  0.167082D+02  0.582425D+01  0.241549D+00
      6  -0.862320D+00  0.128759D+01  0.190542D+02  0.806683D+01  0.548688D+01
                46            47            48            49            50 
      1   0.238193D+02  0.408280D+02  0.134845D+01 -0.200445D+02 -0.327879D+01
      2  -0.201940D+02 -0.314449D+02 -0.507444D+00  0.139590D+02 -0.103818D+02
      3  -0.362532D+01 -0.938306D+01 -0.841002D+00  0.608555D+01  0.136606D+02
      4  -0.928959D+00 -0.460383D+01  0.571723D+00  0.609620D+01  0.109514D+02
      5  -0.464486D+01  0.292334D+01 -0.221709D+01 -0.355984D+00 -0.953604D+00
      6   0.348223D+01 -0.596159D+01 -0.758744D+01 -0.104139D+00  0.787377D+01
                51            52            53            54            55 
      1  -0.449767D+01  0.648589D+01 -0.951220D+00 -0.233201D+02  0.264556D+02
      2   0.486973D+01 -0.516193D+01  0.410951D+01  0.116754D+02 -0.178155D+02
      3  -0.372062D+00 -0.132396D+01 -0.315829D+01  0.116447D+02 -0.864014D+01
      4  -0.154928D+01 -0.166466D+00 -0.383541D+01 -0.179373D+01  0.203517D+02
      5  -0.158249D+00  0.366320D+01  0.150911D+01 -0.225628D+01  0.365104D+01
      6   0.898954D+01 -0.150127D+01  0.234924D+02 -0.220196D+01  0.220881D+01
                56            57            58            59            60 
      1   0.500098D+02 -0.541432D+00  0.591946D+01  0.209543D+02 -0.462931D+01
      2  -0.319616D+02 -0.103104D+01  0.150812D+01 -0.222591D+02  0.619937D+01
      3  -0.180482D+02  0.157248D+01 -0.742758D+01  0.130484D+01 -0.157005D+01
      4  -0.415165D+02  0.395302D+01  0.300473D+02  0.179653D+02  0.155041D+01
      5   0.524217D+01 -0.145737D+02 -0.348275D+01  0.670890D+00  0.575990D+01
      6  -0.217161D+01 -0.897167D+01 -0.755485D+00  0.649555D+01  0.841724D+01
                61            62            63            64            65 
      1   0.299976D+01 -0.177983D+01 -0.212772D+02 -0.920506D+00  0.285236D+01
      2  -0.161944D+01  0.708849D+01  0.823189D+01  0.403569D+01 -0.414318D+01
      3  -0.138031D+01 -0.530866D+01  0.130453D+02 -0.311518D+01  0.129082D+01
      4  -0.306202D+01 -0.389465D+01  0.154869D+02 -0.549969D+01  0.101775D+02
      5   0.187538D+01  0.180470D+02 -0.829768D+01  0.129148D+01 -0.179172D+01
      6   0.347120D+01  0.219733D+02 -0.489946D+01 -0.198136D+01  0.178731D+01
                66            67            68            69            70 
      1  -0.416574D+00  0.822582D+01 -0.333074D+02  0.498521D+01  0.220403D+00
      2   0.281058D+00 -0.111712D+02  0.400310D+02 -0.399690D+01  0.211335D+00
      3   0.135516D+00  0.294534D+01 -0.672363D+01 -0.988304D+00 -0.431738D+00
      4  -0.145028D+01  0.105702D+02 -0.190443D+02  0.252759D+01 -0.163304D+01
      5   0.149141D+01 -0.188436D+01  0.168440D+01 -0.219851D+01  0.225384D-01
      6  -0.105379D+01  0.327546D+01 -0.993020D+01  0.679605D+01 -0.161527D+01
                71            72            73            74            75 
      1   0.351810D+01 -0.387916D+01  0.105307D+02 -0.515413D+00  0.274261D+00
      2  -0.386555D+01  0.384181D+01  0.734485D+00  0.789146D+01 -0.588044D+00
      3   0.347443D+00  0.373527D-01 -0.112652D+02 -0.737604D+01  0.313782D+00
      4   0.286203D+01 -0.794939D+00  0.266597D+02  0.197412D+02  0.758500D-01
      5   0.106544D+00  0.617595D+00  0.260003D+01  0.346774D+00  0.445599D+01
      6   0.359229D+01 -0.191443D+01  0.189362D+01  0.873646D+00  0.234924D+01
                76            77            78            79            80 
      1  -0.365631D+01 -0.907143D+01 -0.497097D-01  0.211543D+01  0.773303D+00
      2   0.135381D+02  0.189459D+02 -0.107671D+00 -0.216101D+01 -0.109144D+01
      3  -0.988181D+01 -0.987446D+01  0.157381D+00  0.455792D-01  0.318139D+00
      4   0.262716D+02  0.262232D+02 -0.362246D+00 -0.125943D+01 -0.147372D+01
      5  -0.229647D+00 -0.561002D-01  0.328520D+01 -0.198947D+00  0.176383D+01
      6   0.782852D+00  0.133846D+01  0.406852D+01 -0.109113D+01  0.209210D+01
                81            82            83            84            85 
      1   0.427426D+00 -0.486738D+01  0.704850D+01 -0.131634D+01  0.305758D+01
      2   0.630212D+00  0.691960D+01 -0.964131D+01  0.124105D+01 -0.341192D+01
      3  -0.105764D+01 -0.205221D+01  0.259281D+01  0.752913D-01  0.354339D+00
      4   0.200235D+01 -0.271352D+01  0.117226D+02 -0.981364D+00  0.619351D+01
      5  -0.587923D+00 -0.371845D+00 -0.902176D-01  0.179564D+01 -0.217965D+00
      6  -0.684125D+00 -0.481936D+00  0.129163D+01 -0.123244D+01  0.255358D-01
                86            87            88            89            90 
      1  -0.553791D+02  0.544848D+01 -0.131993D+01  0.694664D+01 -0.256790D+01
      2   0.731768D+02 -0.604353D+01  0.120684D+01 -0.829886D+01  0.299683D+01
      3  -0.177977D+02  0.595045D+00  0.113088D+00  0.135221D+01 -0.428934D+00
      4  -0.908495D+01  0.576693D+00 -0.723677D+00  0.152186D+01 -0.154749D+01
      5  -0.188478D+01 -0.373399D+00  0.742072D+00 -0.125252D+01  0.423625D+00
      6  -0.470935D+01  0.773111D+01  0.229676D+00  0.333121D+01 -0.172793D+01
                91            92            93            94            95 
      1  -0.174520D+02 -0.563639D+01  0.119705D+02 -0.803808D+01  0.147999D+02
      2   0.272729D+02  0.635680D+01  0.154549D+01  0.121897D+02 -0.204396D+02
      3  -0.982088D+01 -0.720415D+00 -0.135160D+02 -0.415166D+01  0.563970D+01
      4  -0.421788D+00  0.134950D+01 -0.507209D+01 -0.313267D+01  0.398729D+02
      5  -0.214603D+01 -0.649276D+01 -0.271022D+02 -0.243309D+02 -0.440356D+01
      6  -0.673370D+01 -0.266302D+01 -0.132096D+01  0.369690D-01  0.971089D+01
                96            97            98            99           100 
      1  -0.132888D+02  0.758457D+01 -0.561888D+01 -0.269766D+02 -0.667088D+02
      2   0.156022D+02  0.297069D+01  0.535981D+01  0.202085D+02  0.371627D+02
      3  -0.231342D+01 -0.105553D+02  0.259074D+00  0.676810D+01  0.295460D+02
      4  -0.400702D+01 -0.117505D+02 -0.502532D+01 -0.392910D+01  0.288686D+02
      5  -0.660003D+01 -0.694737D+02 -0.707707D+01 -0.443894D+01 -0.382212D+02
      6  -0.103515D+01 -0.937499D+00 -0.136487D+01 -0.510155D+01  0.140088D+02
               101           102           103           104           105 
      1   0.197146D+02 -0.355392D+02  0.385472D+02  0.566554D+00 -0.588320D-01
      2  -0.105083D+02  0.264895D+01 -0.296577D+02 -0.719349D+01 -0.119088D+02
      3  -0.920630D+01  0.328902D+02 -0.888946D+01  0.662694D+01  0.119676D+02
      4  -0.104105D+01  0.466211D+01 -0.571006D+01 -0.419386D+02 -0.220253D+01
      5   0.938968D+01  0.199822D+02  0.270291D+02 -0.796704D+00  0.203805D+02
      6   0.119021D+00  0.895478D+00  0.151011D+00 -0.180329D+02 -0.752408D-01
               106           107           108           109           110 
      1  -0.610694D+01 -0.292883D+01  0.396867D+02 -0.110062D+03 -0.150810D+02
      2  -0.153492D+02 -0.530888D+01 -0.125491D+02  0.491701D+02  0.295473D+01
      3   0.214562D+02  0.823771D+01 -0.271376D+02  0.608918D+02  0.121262D+02
      4   0.649296D+01  0.236517D+01  0.153612D+02 -0.225668D+02 -0.183586D+02
      5   0.465191D+02  0.151176D+02  0.142490D+02  0.246090D+02  0.893854D+01
      6   0.491284D+01  0.201592D+01  0.122756D+02  0.689960D+01  0.191561D+01
               111           112           113           114           115 
      1   0.123462D+02 -0.291392D+02 -0.109367D+02  0.804689D+01 -0.349170D+02
      2  -0.633547D+01  0.828115D+01  0.113495D+02 -0.449794D+01  0.267356D+02
      3  -0.601072D+01  0.208581D+02 -0.412831D+00 -0.354894D+01  0.818147D+01
      4   0.618155D+01  0.326999D+01 -0.179408D+02  0.651959D+00  0.714774D+01
      5  -0.343947D+01  0.179545D+02  0.248523D+01 -0.266931D+01  0.360353D+02
      6  -0.313650D+01  0.229008D+01  0.127462D+01  0.107412D+01  0.438715D+00
               116           117           118           119           120 
      1   0.566626D+01  0.313392D+02 -0.678664D+01 -0.621196D+01 -0.494699D+00
      2  -0.227972D+01 -0.986434D+01  0.858389D+01  0.233431D+01  0.331117D+00
      3  -0.338654D+01 -0.214748D+02 -0.179726D+01  0.387765D+01  0.163582D+00
      4  -0.148676D+01  0.302693D+01 -0.895650D+01  0.778959D+01 -0.544992D+00
      5   0.399626D+01 -0.978910D+01  0.362938D+00 -0.103949D+01  0.726851D+01
      6  -0.438858D+01 -0.391865D+01 -0.240490D+01  0.880309D+00 -0.279991D+00
               121           122           123           124           125 
      1  -0.842874D+01 -0.181688D+02  0.573207D+01 -0.235356D+01  0.210406D+01
      2  -0.482119D+00  0.306605D+02 -0.466913D+01  0.176728D+01 -0.677963D+00
      3   0.891086D+01 -0.124917D+02 -0.106294D+01  0.586279D+00 -0.142609D+01
      4   0.170305D+02 -0.473543D+02  0.596716D+01 -0.395325D+00  0.487973D+01
      5  -0.144128D+01  0.564367D+01 -0.113345D+02  0.976798D+01 -0.594546D+01
      6   0.235240D+01 -0.109930D+02  0.628383D+01 -0.208619D+01  0.686909D+01
               126           127           128           129           130 
      1  -0.653337D+00  0.111227D+03 -0.138133D+02  0.219758D+02 -0.267459D+02
      2   0.388150D+00 -0.678537D+02  0.704100D+01 -0.185524D+02  0.157731D+02
      3   0.265187D+00 -0.433734D+02  0.677230D+01 -0.342345D+01  0.109728D+02
      4  -0.635091D+01 -0.215768D+02  0.156677D+02 -0.435373D+01  0.216439D+02
      5   0.492255D+01  0.653839D+02 -0.683818D+01  0.298244D+02 -0.192788D+02
      6  -0.223136D+01 -0.838422D+01  0.625040D+01 -0.200360D+01  0.790406D+01
               131           132           133           134           135 
      1   0.115724D+02 -0.419542D+01  0.993611D+01 -0.493532D+00  0.664158D+01
      2  -0.449589D+01  0.563074D+01 -0.931303D+01  0.170835D+01 -0.784402D+01
      3  -0.707648D+01 -0.143532D+01 -0.623080D+00 -0.121482D+01  0.120244D+01
      4  -0.544394D+01  0.537828D+01 -0.244449D+01  0.186717D+01 -0.469096D+01
      5   0.743379D+01 -0.113030D+02  0.184521D+02 -0.471785D+01  0.980787D+01
      6  -0.194918D+01  0.337424D+01 -0.252579D+01  0.151656D+01 -0.213661D+01
               136           137           138           139           140 
      1  -0.560049D+01 -0.474711D+01  0.244095D+02 -0.667202D+01 -0.712953D+01
      2  -0.127124D+01  0.134559D+01  0.213312D+01  0.453216D+01  0.128110D+01
      3   0.687173D+01  0.340152D+01 -0.265426D+02  0.213986D+01  0.584844D+01
      4  -0.363124D+01 -0.302477D+01  0.140336D+01  0.199873D+01 -0.410461D+00
      5   0.176763D+01 -0.819468D+00 -0.128173D+02 -0.495730D+01  0.569049D+01
      6  -0.242526D+01 -0.363722D+01  0.252950D+01  0.211426D+00 -0.266298D+01
               141           142           143           144           145 
      1   0.804938D+01  0.992551D+01  0.436532D+01 -0.418266D+02  0.971916D+01
      2   0.295084D+01 -0.294280D+01  0.161397D+01 -0.145006D+02 -0.301376D+01
      3  -0.110002D+02 -0.698271D+01 -0.597929D+01  0.563272D+02 -0.670540D+01
      4   0.762622D+01 -0.110817D+00  0.654449D+01 -0.756517D+01  0.634922D+01
      5  -0.117816D+02  0.518082D+01 -0.510891D+01  0.409188D+02  0.513602D+01
      6   0.935697D+01 -0.371133D+00  0.722761D+01 -0.751069D+01  0.192028D+01
               146           147           148           149           150 
      1   0.550200D+01  0.484474D+01  0.121380D+02 -0.440769D+01 -0.132478D+01
      2  -0.190534D+01 -0.755237D+00 -0.598531D+01  0.141643D+02 -0.284793D+01
      3  -0.359665D+01 -0.408951D+01 -0.615265D+01 -0.975665D+01  0.417272D+01
      4   0.748111D+01  0.627503D+00  0.156735D+02  0.524523D+02  0.935341D+01
      5   0.219141D+01 -0.419488D+00  0.121233D+02  0.958244D+01  0.139397D+02
      6   0.194311D+01  0.756274D-01  0.587071D+01  0.249402D+02  0.809769D+01
               151           152           153           154           155 
      1  -0.721793D+00 -0.162842D+01 -0.567758D+01  0.210188D+03  0.227267D+02
      2   0.114775D+01 -0.830883D+00  0.144862D+01 -0.101394D+03 -0.872868D+01
      3  -0.425956D+00  0.245930D+01  0.422896D+01 -0.108795D+03 -0.139980D+02
      4   0.319465D+00  0.609881D+00  0.438392D+01  0.231323D+02  0.360292D+02
      5  -0.381009D+00  0.444925D+01  0.106339D+01 -0.426234D+02 -0.539681D+01
      6   0.966545D+00  0.476067D+01  0.193440D+01 -0.501138D+01 -0.526580D+01
               156           157           158           159           160 
      1  -0.127933D+02  0.338689D+02  0.346389D+02 -0.303627D+01 -0.115915D+02
      2   0.112048D+02 -0.146458D+02 -0.134290D+02  0.275748D+01  0.104723D+02
      3   0.158848D+01 -0.192231D+02 -0.212099D+02  0.278791D+00  0.111919D+01
      4  -0.231054D+01  0.489831D+02  0.260228D+02 -0.451393D+01 -0.357845D+01
      5   0.388554D+02 -0.107698D+02 -0.913210D+01  0.100143D+02  0.368825D+02
      6  -0.200546D+00 -0.977521D+01 -0.501947D+01  0.510646D+01  0.244019D+01
               161           162           163           164           165 
      1  -0.201803D+01  0.201866D+02  0.632988D+02  0.515763D+01 -0.171814D+02
      2   0.159841D+01 -0.144238D+02 -0.446174D+02 -0.170044D+01  0.115464D+02
      3   0.419614D+00 -0.576286D+01 -0.186813D+02 -0.345719D+01  0.563497D+01
      4  -0.188346D+01  0.485327D+01 -0.225634D+01  0.796515D+01  0.435809D+01
      5   0.673368D+01 -0.768917D+01 -0.421566D+02  0.197541D+01  0.201638D+02
      6   0.428476D+01 -0.167018D+01  0.150371D+01 -0.186424D+01 -0.172060D+01
               166           167           168           169           170 
      1   0.164374D+02 -0.781075D+01 -0.389617D+01  0.904695D+01 -0.277018D+01
      2  -0.900937D+01  0.256058D+01  0.291378D+01 -0.232522D+01  0.242427D+00
      3  -0.742801D+01  0.525017D+01  0.982391D+00 -0.672173D+01  0.252776D+01
      4   0.396705D+01 -0.463123D+01 -0.119807D+02  0.577164D+01 -0.664055D+01
      5  -0.627650D+01 -0.115303D+02 -0.214859D+00  0.138921D+02 -0.758308D+01
      6  -0.136889D+01  0.436369D+01  0.119006D+02 -0.411596D+01  0.119386D+02
               171           172           173           174           175 
      1  -0.368349D+02 -0.552153D+02 -0.624859D+01 -0.683242D+01 -0.102071D+02
      2  -0.104590D+02  0.357068D+02  0.273232D+01 -0.557836D+01  0.644001D+01
      3   0.472939D+02  0.195085D+02  0.351627D+01  0.124108D+02  0.376714D+01
      4  -0.929173D+01  0.277950D+01 -0.507484D+01 -0.387325D+01  0.112423D+01
      5  -0.450129D+02  0.310345D+02 -0.229612D+01 -0.179258D+02  0.358931D+01
      6   0.104283D+02 -0.719164D+00  0.456545D+01  0.479227D+01  0.212308D+00
               176           177           178           179           180 
      1  -0.675848D+01 -0.257642D+01  0.121523D+02 -0.819344D+00 -0.112391D+02
      2   0.427699D+01  0.728958D+00 -0.144756D+02  0.289014D+00  0.603623D+01
      3   0.248148D+01  0.184746D+01  0.232329D+01  0.530330D+00  0.520284D+01
      4  -0.276000D+01 -0.383765D+01 -0.260926D+01  0.882319D+00  0.969025D+00
      5  -0.283323D+01 -0.272135D+01 -0.152657D+02  0.567064D+00  0.399640D+01
      6   0.294163D+01  0.433741D+01  0.387639D+01  0.102440D+01  0.208334D+00
               181           182           183           184           185 
      1  -0.510952D+01 -0.517112D+02  0.291314D+01  0.101558D+03  0.213305D+02
      2   0.380855D+01  0.370243D+02  0.270142D+00 -0.692894D+02 -0.196569D+02
      3   0.130097D+01  0.146869D+02 -0.318328D+01 -0.322685D+02 -0.167362D+01
      4  -0.109778D+02  0.482347D+02 -0.674380D+01  0.132235D+02 -0.346282D+02
      5  -0.635113D+01 -0.904782D+01  0.212371D+02  0.547767D+01  0.704018D+01
      6  -0.401094D+01 -0.280387D+01  0.126884D+02  0.637267D+01  0.283357D+01
               186           187           188           189           190 
      1   0.373137D+01 -0.152761D+02 -0.841362D+01  0.363210D+01  0.119460D+03
      2  -0.252874D+01  0.134284D+02  0.697831D+01 -0.901258D+01 -0.608033D+02
      3  -0.120262D+01  0.184780D+01  0.143531D+01  0.538048D+01 -0.586568D+02
      4   0.807641D+01 -0.183357D+01  0.111248D+02  0.179140D+02  0.525569D+01
      5   0.102218D+02  0.321105D+02  0.169019D+02 -0.267197D+01 -0.546763D+01
      6   0.330079D+01  0.165996D+02  0.865100D+01  0.319849D+01 -0.135703D+01
               191           192           193           194           195 
      1   0.256570D+02  0.310756D+01 -0.460884D+02 -0.164511D+02  0.165532D+01
      2  -0.133076D+02 -0.456892D+00  0.407364D+02  0.243559D+02 -0.386538D+01
      3  -0.123495D+02 -0.265067D+01  0.535200D+01 -0.790480D+01  0.221005D+01
      4   0.335674D+02 -0.196655D+01 -0.132185D+02  0.565637D+02 -0.768071D+01
      5  -0.168094D+01  0.573325D+01  0.604087D+01 -0.625798D+01 -0.131035D+01
      6  -0.267058D+01 -0.426935D+01 -0.662509D+01 -0.413290D+01 -0.510258D+01
               196           197           198           199           200 
      1   0.526924D+01  0.637223D+01  0.277248D+02 -0.118807D+03 -0.125979D+02
      2  -0.552034D+01 -0.541420D+01 -0.241450D+02  0.476714D+02  0.375819D+01
      3   0.251107D+00 -0.958034D+00 -0.357973D+01  0.711356D+02  0.883970D+01
      4   0.842452D+01 -0.339343D+01 -0.979516D+00 -0.154395D+02 -0.293850D+02
      5   0.574006D+02  0.374963D+01  0.472631D+01 -0.152168D+01  0.667787D+01
      6  -0.127474D+01  0.446321D+01  0.169436D+01  0.655247D+01 -0.321200D-01
               201           202           203           204           205 
      1  -0.536719D+01 -0.768707D+02 -0.503633D+01 -0.588906D+01 -0.180785D+00
      2   0.250302D+01  0.478004D+02 -0.121283D+02  0.588442D+01 -0.235197D+01
      3   0.286417D+01  0.290703D+02  0.171646D+02  0.464293D-02  0.253276D+01
      4   0.479180D+01  0.413905D-01 -0.195184D+02 -0.231347D+01  0.159493D+01
      5   0.303504D+01 -0.130163D+01 -0.316569D+01 -0.121942D+02  0.347329D+01
      6   0.390905D+00 -0.154681D+01  0.669359D+01  0.651604D+01 -0.340868D+01
               206           207           208           209           210 
      1   0.180156D+00 -0.208998D+02  0.660927D+01 -0.310271D+02  0.153959D+00
      2   0.430078D+01  0.303075D+01 -0.599710D+01  0.158819D+02 -0.206085D+01
      3  -0.448094D+01  0.178690D+02 -0.612170D+00  0.151452D+02  0.190690D+01
      4  -0.743195D+01 -0.241542D+02 -0.271958D+02  0.860263D+01  0.133810D+00
      5  -0.262619D+02  0.422778D+01  0.534771D+01  0.735040D+00  0.291857D+02
      6   0.166422D+02 -0.127843D+01  0.259283D+00  0.241725D+01  0.375900D+01
               211           212           213           214           215 
      1   0.143642D+02  0.163114D+02 -0.271198D+01 -0.188046D+01 -0.367990D+01
      2  -0.137495D+02 -0.553115D+01  0.216181D+01 -0.105190D+00  0.287766D+01
      3  -0.614720D+00 -0.107803D+02  0.550171D+00  0.198565D+01  0.802241D+00
      4   0.447888D+02 -0.179716D+02  0.515223D+01 -0.555221D+01  0.873075D+00
      5  -0.613946D+01  0.313013D+01  0.116015D+02  0.622544D+01 -0.609787D+01
      6   0.226768D+01 -0.251858D+00  0.817900D+01 -0.388430D+01  0.440184D+01
               216           217           218           219           220 
      1  -0.931519D+00 -0.364082D+02  0.564704D+02 -0.534634D+01  0.394847D+02
      2   0.186023D+01  0.216386D+02 -0.289593D+02  0.330326D+01 -0.151049D+02
      3  -0.928707D+00  0.147696D+02 -0.275111D+02  0.204308D+01 -0.243798D+02
      4  -0.715135D+01  0.561944D+02 -0.690890D+01  0.824922D+01 -0.479628D+02
      5   0.297648D+01 -0.649591D+01  0.849987D+01 -0.205192D+02  0.117355D+02
      6  -0.188148D+01  0.332839D+01 -0.234313D+00 -0.270556D+01 -0.383605D+01
               221           222           223           224           225 
      1  -0.197534D+02  0.155931D+02  0.642492D-02  0.134009D+02 -0.174098D+02
      2   0.116304D+02 -0.655826D+01 -0.151270D+01 -0.644479D+01  0.102191D+02
      3   0.812294D+01 -0.903484D+01  0.150627D+01 -0.695613D+01  0.719075D+01
      4  -0.213221D+02 -0.150430D+02  0.110945D+02 -0.958157D+01 -0.536944D+02
      5  -0.139389D+02 -0.810055D+02 -0.454132D+02 -0.551988D+02  0.156816D+02
      6  -0.422398D+01 -0.148957D+02 -0.138263D+02 -0.110660D+02 -0.151395D+01
               226           227           228           229           230 
      1  -0.374343D+01  0.130997D+02 -0.197964D+01  0.146607D+01 -0.532267D+02
      2   0.545607D+01 -0.118844D+02  0.144422D+01 -0.148342D-01  0.673994D+02
      3  -0.171263D+01 -0.121529D+01  0.535419D+00 -0.145123D+01 -0.141727D+02
      4   0.306781D+01  0.538335D+01 -0.184009D-01  0.426656D+01  0.276300D+02
      5  -0.663737D+00  0.178173D+00  0.134134D+01 -0.275361D+00 -0.550741D+01
      6  -0.102533D+01  0.206705D+01 -0.122005D+01 -0.381269D+00 -0.102974D+02
               231           232           233           234           235 
      1   0.594962D+01 -0.712940D+00  0.685925D+01 -0.238732D+01  0.497666D+02
      2  -0.575994D+01  0.331659D+00 -0.750213D+01  0.272027D+01 -0.185583D+02
      3  -0.189684D+00  0.381282D+00  0.642878D+00 -0.332950D+00 -0.312083D+02
      4  -0.328143D+01  0.153996D+00 -0.298524D+01 -0.107469D+01  0.376004D+02
      5   0.279367D+01  0.172616D+01 -0.345170D+00  0.874599D-01 -0.551792D+00
      6   0.783227D+01 -0.339485D+00  0.359013D+01 -0.167349D+01  0.177764D+00
               236           237           238           239           240 
      1   0.161736D+02  0.175579D+01  0.213597D+02  0.112807D+02 -0.303819D+00
      2  -0.157948D+01 -0.946065D+00  0.883482D+00  0.768083D+01  0.267897D+00
      3  -0.145942D+02 -0.809724D+00 -0.222431D+02 -0.189616D+02  0.359228D-01
      4   0.274543D+02 -0.100708D-01  0.410693D+02  0.390360D+02 -0.802249D+00
      5  -0.144242D+01  0.354858D+01 -0.336088D+01 -0.280024D+01  0.453406D+01
      6  -0.240992D+00  0.173693D+01 -0.147496D+01 -0.999622D+00  0.361755D+01
               241           242           243           244           245 
      1   0.222430D+01 -0.109788D+00 -0.108542D+01 -0.205122D+01 -0.533188D+01
      2  -0.216919D+01 -0.563515D+00  0.108579D+01  0.569206D+01 -0.184968D+01
      3  -0.551050D-01  0.673303D+00 -0.368622D-03 -0.364084D+01  0.718156D+01
      4  -0.158774D+01 -0.178977D+01  0.147640D+01 -0.162184D+02  0.184622D+02
      5  -0.213637D+01  0.961625D+00 -0.647146D+00  0.126577D+01 -0.193304D+01
      6  -0.113699D+01  0.112231D+01 -0.582585D+00 -0.108521D+01  0.141057D+01
               246           247           248           249           250 
      1   0.168516D+00 -0.101762D+01 -0.214951D+02  0.249222D+01 -0.264174D+00
      2   0.231470D+00 -0.968287D+01  0.384450D+02 -0.326579D+01  0.957238D+00
      3  -0.399986D+00  0.107005D+02 -0.169499D+02  0.773571D+00 -0.693064D+00
      4  -0.272563D+01  0.258832D+02 -0.544654D+02  0.644462D+01 -0.370326D+01
      5   0.273109D+01 -0.228365D+01  0.383797D+01 -0.558119D+01  0.203647D+01
      6  -0.147343D+01  0.205887D+01 -0.551109D+01  0.685487D+01 -0.220229D+01
               251           252           253           254           255 
      1   0.161536D+01 -0.168215D+01  0.209202D+02  0.491966D+01 -0.168556D+02
      2  -0.338695D+01  0.300397D+01 -0.112402D+02 -0.212323D+01  0.830479D+01
      3   0.177159D+01 -0.132182D+01 -0.968003D+01 -0.279643D+01  0.855079D+01
      4   0.706696D+01 -0.163163D+01  0.623027D+01  0.509827D+01 -0.770115D+01
      5  -0.334151D+00  0.971054D+00 -0.205187D+02 -0.743979D+01  0.896556D+01
      6   0.317676D+01 -0.168465D+01 -0.297225D+01 -0.987864D+00  0.293630D+00
               256           257           258           259           260 
      1   0.238168D+02  0.126668D+02 -0.117117D+02 -0.579342D+02 -0.118606D+02
      2  -0.121333D+02 -0.434541D+01  0.487630D+01  0.338557D+02  0.605705D+01
      3  -0.116834D+02 -0.832143D+01  0.683537D+01  0.240785D+02  0.580360D+01
      4   0.287547D+02  0.247291D+02 -0.186289D+02 -0.232038D+02 -0.213432D+02
      5  -0.215148D+02 -0.194176D+02  0.328365D+02  0.524146D+02  0.304995D+02
      6  -0.438566D+01 -0.468676D+01  0.794353D+01  0.876197D+01  0.754374D+01
               261           262           263           264           265 
      1   0.215228D+02  0.555590D+01  0.513722D+01  0.134868D+02  0.261623D+02
      2  -0.182748D+02 -0.336376D+01 -0.236497D+01 -0.616516D+01 -0.137818D+02
      3  -0.324801D+01 -0.219214D+01 -0.277225D+01 -0.732159D+01 -0.123806D+02
      4   0.289407D+02  0.477574D+01  0.330495D+01  0.350772D+01  0.332123D+02
      5  -0.655113D+02  0.134533D+02  0.317397D+01  0.221745D+01  0.230053D+02
      6  -0.835279D+01  0.238700D+01  0.170824D+00 -0.555706D+00  0.824325D+01
               266           267           268           269           270 
      1   0.958851D+01  0.631856D+01  0.384873D+02  0.441944D+01  0.113147D+02
      2  -0.197434D+01 -0.390318D+01 -0.231121D+02 -0.366216D+01 -0.144729D+02
      3  -0.761417D+01 -0.241538D+01 -0.153753D+02 -0.757282D+00  0.315816D+01
      4   0.390219D+02  0.296147D+02  0.206851D+02  0.276387D+02  0.336713D+02
      5   0.290971D+02  0.394068D+02  0.427210D+02  0.341125D+02  0.515081D+02
      6   0.106809D+02  0.115892D+02  0.102057D+02  0.108533D+02  0.121616D+02
               271           272           273           274           275 
      1   0.176109D+03 -0.407582D+02  0.147141D+02 -0.827314D+02  0.307540D+02
      2  -0.905562D+02  0.205799D+02 -0.853674D+01  0.412726D+02 -0.138210D+02
      3  -0.855525D+02  0.201783D+02 -0.617734D+01  0.414587D+02 -0.169329D+02
      4  -0.494765D+02  0.235208D+02 -0.454936D+01  0.418654D+02 -0.285825D+02
      5   0.183102D+02 -0.438602D+01  0.176390D+02 -0.877876D+01  0.514322D+01
      6  -0.193183D+01  0.982385D+00 -0.104480D+01  0.196081D+01 -0.126967D+01
               276           277           278           279 
      1  -0.719038D+01  0.186155D+02 -0.479292D+01  0.177766D+02
      2   0.409179D+01 -0.110488D+02  0.279704D+01 -0.104871D+02
      3   0.309859D+01 -0.756665D+01  0.199588D+01 -0.728952D+01
      4   0.538278D+01 -0.575462D+01  0.453696D+01 -0.192350D+01
      5  -0.726945D+01  0.264246D+02 -0.169121D+01  0.560905D+01
      6   0.245900D+01 -0.195151D+01  0.302270D+01 -0.615221D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x         -0.230125D+01     -0.584919D+01     -0.195108D+02
   y         -0.769776D+00     -0.195658D+01     -0.652643D+01
   z          0.694496D+00      0.176523D+01      0.588819D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.285439D+03      0.422977D+02      0.470626D+02
   yx         0.118832D+02      0.176091D+01      0.195927D+01
   yy         0.155815D+03      0.230894D+02      0.256904D+02
   zx         0.111858D+02      0.165757D+01      0.184430D+01
   zy        -0.358322D+01     -0.530979D+00     -0.590794D+00
   zz         0.112258D+03      0.166350D+02      0.185089D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.208287D+03      0.308650D+02      0.343419D+02
   aniso      0.188345D+03      0.279099D+02      0.310540D+02
   xx         0.328222D+03      0.486375D+02      0.541165D+02
   yx         0.162714D+02      0.241117D+01      0.268279D+01
   yy         0.172983D+03      0.256335D+02      0.285211D+02
   zx         0.121978D+02      0.180753D+01      0.201115D+01
   zy        -0.382498D+01     -0.566804D+00     -0.630655D+00
   zz         0.123657D+03      0.183241D+02      0.203883D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.18474142         -0.64475023          1.73320729
     6         -0.89168385          1.80444316          1.39979716
     6          1.49703414         -1.78039585         -0.30401038
     6          1.76851855         -0.58177663         -2.58842635
     6          0.68214417          1.85281580         -2.90393461
     6         -0.60032492          3.00314937         -0.98211435
     6         -0.10164506         -1.84112192          4.09613034
     1          2.31690892         -3.63800916         -0.02324774
     1          0.86537182          2.79977219         -4.70865811
     1         -1.42189573          4.85698977         -1.25846649
     6          3.16471701         -1.81286822         -4.75873138
     6          5.47891994         -0.31809767         -5.62567105
     6          1.40379000         -2.39058838         -6.99041565
     1          3.79704348         -3.67520229         -4.10902174
     1          6.43428411         -1.29910205         -7.15995577
     1          6.78732661         -0.07662059         -4.05319479
     1          4.94146559          1.54635404         -6.31559915
     8          1.99870356         -2.21016006         -9.16669750
     8         -0.92231797         -3.24010679         -6.35189942
     1         -1.14704378         -3.11196919         -4.53815731
     6         -1.38137764         -0.70191089          6.04316764
     6         -2.44604284          1.72421561          5.70120588
     6         -2.19755682          2.94369699          3.41382433
     8         -3.73912645          2.97414797          7.53607968
     6         -4.05026501          1.80456196          9.92703246
     1          0.71002919         -3.70004532          4.37110321
     1         -1.56519707         -1.67205958          7.82825949
     1         -3.02459546          4.80010339          3.18624727
     1         -2.22952832          1.44384175         10.83590013
     1         -5.10323373          0.03301542          9.77182786
     1         -5.12482964          3.13365078         11.06673948

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252401D+01      0.641539D+01      0.213994D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.142035D+03      0.210475D+02      0.234185D+02
   yx        -0.213779D+02     -0.316788D+01     -0.352474D+01
   yy         0.149609D+03      0.221697D+02      0.246672D+02
   zx        -0.579816D+02     -0.859199D+01     -0.955988D+01
   zy         0.850039D+01      0.125963D+01      0.140153D+01
   zz         0.261868D+03      0.388049D+02      0.431763D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.208287D+03      0.308650D+02      0.343419D+02
   aniso      0.188345D+03      0.279099D+02      0.310540D+02
   xx         0.157584D+03      0.233515D+02      0.259820D+02
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   zy         0.931023D+01      0.137963D+01      0.153505D+01
   zz         0.301866D+03      0.447319D+02      0.497709D+02

 ----------------------------------------------------------------------
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 BE CAREFUL NOT TO BECOME TOO GOOD OF A SONGBIRD OR 
 THEY'LL THROW YOU INTO A CAGE.

                                    -- SNOOPY TO WOODSTOCK
 Job cpu time:       0 days 15 hours  2 minutes 17.5 seconds.
 Elapsed time:       0 days  1 hours 53 minutes  5.0 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:52:25 2021.
